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Shanghai Yingxuan Chempharm Co., Ltd.

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Address: Shanghai Jiao Tong University(SJTU) Jin Qiao Science Park,No.2588,Jinhai Road,Pudong New District, Shanghai, Pudong 201209, China
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Profile: Shanghai Yingxuan Chempharm Co., Ltd. is a manufacturer of glyco-compounds, heterocyclic compounds, amino acids, peptides, alkaloids, and various drug intermediates.

251 to 300 of 325 Products/Chemicals (Click for related suppliers)  Page: << Previous 50 Results 1 2 3 4 5 [6] 7 >> Next 50 Results
• Trandolapril
IUPAC Name: (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid | CAS Registry Number: 87679-37-6
Synonyms: trandolapril, Mavik, Gopten, Preran, Odric, Odrik, Tarka, Udrik, Trandolaprilum [Latin], Mavik (TN), Trandolapril (JAN/INN), Trandolapril [BAN:INN], Trandolapril [INN:BAN], CCRIS 6594, C24H34N2O5, RU 44570, RU-44570, DB00519, RU44570, LS-82763

Molecular Formula: C24H34N2O5Molecular Weight: 430.537160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: VXFJYXUZANRPDJ-WTNASJBWSA-N

• Triclabendazole
IUPAC Name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole | CAS Registry Number: 68786-66-3
Synonyms: Fasinex, Egaten, Fasinex (TN), Triclabendazole (INN), Triclabendazole [BAN:INN], Triclabendazol [INN-Spanish], Triclabendazolum [INN-Latin], C14H9Cl3N2OS, Oprea1_236106, MLS000759473, MLS000876812, MLS001424101, CCRIS 8988, STOCK1S-27121, CGA 89317, CGA-89317, ZINC00538495, ZINC01444556, NCGC00164610-01, CPD000466357

Molecular Formula: C14H9Cl3N2OSMolecular Weight: 359.658060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NQPDXQQQCQDHHW-UHFFFAOYSA-N

• Triptolide
Synonyms: triptolide, Triptolid, Triptolide (9CI), BSPBio_001595, KBioGR_000315, KBioSS_000315, MLS000759410, MLS001424107, PG490, KBio2_000315, KBio2_002883, KBio2_005451, KBio3_000629, KBio3_000630, Bio2_000315, Bio2_000795, NSC 163062, C20H24O6, CID107985, NSC163062

Molecular Formula: C20H24O6Molecular Weight: 360.400960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-N

• Troglitazone
IUPAC Name: 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 97322-87-7
Synonyms: troglitazone, Rezulin, Romglizone, Prelay, Romozin, Noscal, Rezulin (TN), Spectrum5_001973, CCRIS 8969, UPCMLD-DP017, Troglitazone [USAN:BAN:INN], CS 045, CS-045, T2573_SIGMA, CI 991, GR 92132X, C24H27NO5S, CHEBI:9753, Troglitazone (JAN/USAN/INN), UPCMLD-DP017:001

Molecular Formula: C24H27NO5SMolecular Weight: 441.539880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GXPHKUHSUJUWKP-UHFFFAOYSA-N

• TW-37
IUPAC Name: N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide | CAS Registry Number: 877877-35-5
Synonyms: TW37, TW 37, 877877-35-5, TW37, TW-37, N-[4-[(2-tert-Butylphenyl)sulfonyl]phenyl]-2,3,4-trihydroxy-5-[(2-isopropylphenyl)methyl]benzamide, S1121_Selleck, tw 37, AGN-PC-009GUY, cc-342, CHEMBL217354, TW37, CHEBI:460439, MolPort-020-008-064, BCPP000030, ABP000129, DNC006894, TW-37-Supplied by Selleck Chemicals, AKOS015966872, CS-0155, RL05469, NCGC00263208-01, HY-12020

Molecular Formula: C33H35NO6SMolecular Weight: 573.699100 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: PQAPVTKIEGUPRN-UHFFFAOYSA-N

• Typhaneoside
IUPAC Name: 3-[(3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one | CAS Registry Number: 104472-68-6
Synonyms: CID5489389, 4H-1-Benzopyran-4-one, 3- ((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Molecular Formula: C34H42O20Molecular Weight: 770.685280 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 20

InChIKey: POMAQDQEVHXLGT-QQVXUORWSA-N

• U0126
IUPAC Name: (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile | CAS Registry Number: 109511-58-2
Synonyms: nchembio.282-comp1, BiomolKI_000002, U126 cpd, BiomolKI2_000012, U0126 cpd, BSPBio_001224, CHEBI:150681, AIDS186610, HMS1362N05, HMS1792N05, HMS1990N05, UO126, AIDS-186610, U 0126, UO 126, UO-126, CID3006531, IDI1_002207, SMP2_000197, NCGC00025029-02

Molecular Formula: C18H16N6S2Molecular Weight: 380.489840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: DVEXZJFMOKTQEZ-JYFOCSDGSA-N

• Ulipristal-Acetate
IUPAC Name: [(8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 126784-99-4
Synonyms: uliprisnil acetate, Ulipristal acetate, Hrp-2000, HRP 2000, CHEBI:531376, CDB 2914, CID130904, VA 2914, RTI 3021-012, RU 44675, 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione, (11beta)-17-(Acetyloxy)-11-(4-(dimethylamino)phenyl)-19-norpregna-4,9-diene-3,20-dione, 136960-00-4, 19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(dimethylamino)phenyl)-, (11beta)-, 199015-61-7

Molecular Formula: C30H37NO4Molecular Weight: 475.619080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OOLLAFOLCSJHRE-ZHAKMVSLSA-N

• Urea, N-[3-(1,1-Dimethylethyl)-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-N'-[4-[2-(4-Morpholinyl)ethoxy]-1-Naphthalenyl]-
IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | CAS Registry Number: 285983-48-4
Synonyms: Doramapimod, nchembio.162-comp7, BIRB-796, 1kv2, UNII-HO1A8B3YVV, Doramapimod (USAN/INN), BIRB 796, CID156422, DB03044, D03736, 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, B96, 1-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl)urea, 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea, Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-(4-(2-(4-morpholinyl)ethoxy)-1-naphthalenyl)-

Molecular Formula: C31H37N5O3Molecular Weight: 527.657180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N

• Ursolic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 77-52-1
Synonyms: Prunol, Malol, Urson, Merotaine, 3-epi-ursolic acid, .beta.-Ursolic acid, Prestwick3_000089, CCRIS 7123, BSPBio_000018, MLS000728569, MLS002154196, U6753_SIGMA, NSC4060, BPBio1_000020, CHEBI:9908, 3beta-Hydroxyurs-12-en-28-oic acid, NSC 4060, 89797_FLUKA, EINECS 201-034-0, TOS-BB-0966

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

• Valrubicin
IUPAC Name: [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate | CAS Registry Number: 56124-62-0
Synonyms: Valstar, Antibiotic AD 32, Valrubicin [USAN], Valstar (TN), Valrubicin (USP/INN), Valstar Preservative Free, AD 32, HSDB 7288, Trifluoroacetyladriamycin-14-valerate, NSC-246131, N-Trifluoroacetyladriamycin-14-valerate, C34H36F3NO13, NSC 246131, Adriamycin, trifluoroacetyl-, 14-valerate, CID41744, N-Trifluoroacetyladriamycin 14-valerate, N-Trifluoroacetyldoxorubicin 14-valerate, NSC246131, DB00385, LS-15286

Molecular Formula: C34H36F3NO13Molecular Weight: 723.643750 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 16

InChIKey: ZOCKGBMQLCSHFP-ZQUOIQDWSA-N

• VALSPODAR
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | CAS Registry Number: 121584-18-7
Synonyms: Valspodar, Amdray, Cyclosporin A der., Amdray (TN), Sdz psc 833, Sdz-psc-833, Valspodar (USAN/INN), Psc 833, SDZ-PSC 833, PSC-833, AIDS081103, AIDS-081103, 3'-Keto-bmt(1)-val(2)-cyclosporin A, CID5281884, C11213, D06277, Cyclosporin D, 6-[(2S,4R,6E)-4-methyl-2-(methylamino)-3-oxo-6-octenoic acid]-, Cyclosporin A, 6-((R-(E))-6,7-didehydro-N,4-dimethyl-3-oxo-L-2-aminooctanoic acid)-7-L-valine-

Molecular Formula: C63H111N11O12Molecular Weight: 1214.621940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: YJDYDFNKCBANTM-QCWCSKBGSA-N

• Varespladib
IUPAC Name: 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid | CAS Registry Number: 172732-68-2
Synonyms: Varespladib sodium, Varepladib [INN], Varespladib [INN], Varespladib (USAN/INN), CHEBI:348537, MolPort-005-933-324, CID155815, 172733-42-5 (Sodium salt), LY315920, D08107, (3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-acetic acid, (3-Aminooxalyl-1-benzyl-2-ethyl-2,3-dihydro-1H-indol-4-yloxy)-acetic acid, 2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yloxy)acetic acid, Acetic acid, ((3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl)oxy)-,

Molecular Formula: C21H20N2O5Molecular Weight: 380.393900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BHLXTPHDSZUFHR-UHFFFAOYSA-N

• VERATRAMINE
IUPAC Name: 2-[1-(3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl)ethyl]-5-methylpiperidin-3-ol | CAS Registry Number: 60-70-8
Synonyms: NSC23880, NSC17821, MolPort-001-812-879, AIDS011940, AIDS-011940, CID229854, GPN001245, NCI60_001915, 14,15,16,17-Tetradehydroveratraman-3,23-diol, Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3.beta.,23.beta.)-, WLN: L D6 B566 LU&TTTJ A1 E1 OQ FY1&- BT6MTJ CQ E1

Molecular Formula: C27H39NO2Molecular Weight: 409.604060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: MALFODICFSIXPO-UHFFFAOYSA-N

• Vildagliptin
IUPAC Name: (2R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile | CAS Registry Number: 274901-16-5
Synonyms: Vildagliptin (JAN/USAN/INN), LS-193227, D07080

Molecular Formula: C17H25N3O2Molecular Weight: 303.399300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SYOKIDBDQMKNDQ-JULPFRMLSA-N

• Vx-680
IUPAC Name: N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide | CAS Registry Number: 639089-54-6
Synonyms: Tozasertib, 2f4j, VX-680, MLS001065920, MK-0457, CID5494449, SMR000486395, VX6, Cyclopropanecarboxamide, N-(4-((4-(4-methyl-1-piperazinyl)-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)thio)phenyl)-, Cyclopropanecarboxylic acid N-(4-((4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl)sulfanyl)phenyl)amide, N-(4-(4-(3-methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide

Molecular Formula: C23H28N8OSMolecular Weight: 464.586420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: GCIKSSRWRFVXBI-UHFFFAOYSA-N

• VX-950
IUPAC Name: (1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-1-carboxamide | CAS Registry Number: 402957-28-2
Synonyms: VX 950, LY 570310, 569364-34-7, Cyclopenta(c)pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)-

Molecular Formula: C36H53N7O6Molecular Weight: 679.849320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: BBAWEDCPNXPBQM-IGSHNTALSA-N

• VX702
IUPAC Name: 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide | CAS Registry Number: 479543-46-9
Synonyms: VX-702, S6005_Selleck, Kinome_3176, VX 702, CHEMBL1090090, CHEBI:719385, ST51054128, 2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ureido)nicotinamide, 1-(5-carbamoyl-6-(2,4-difluorophenyl)pyridin-2-yl)-1-(2,6-difluorophenyl)urea, I14-1965, VX702, VX-702, 745833-23-2, CID10341154, PubChem22492, SureCN185712, cc-421, CTK8E9206, QCR-232, MolPort-021-805-020, BCPP000016

Molecular Formula: C19H12F4N4O2Molecular Weight: 404.317793 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: FYSRKRZDBHOFAY-UHFFFAOYSA-N

• Wilforlide A
Synonyms: CID158477, Olean-12-en-29-oic acid, 3,22-dihydroxy-, gamma-lactone, (3beta,20alpha,22alpha)-

Molecular Formula: C30H46O3Molecular Weight: 454.684440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HHQJBWYXBWOFJY-YLXTXNMFSA-N

• XL-147
IUPAC Name: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide | CAS Registry Number: 956958-53-5
Synonyms: XL147, XL 147, SAR245408, N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide, SAR 245408, N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide, XL 147, XL-147, 956958-53-5, N-(3-(benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl)-4-methylbenzenesulfonamide, PubChem22457, cc-43, SureCN1792641, CHEBI:71957, MolPort-016-633-179, ABP000084, STL325024, XL147-Supplied by Selleck Chemicals, AKOS015842552, CS-0088, MCULE-9777093020, PB33271

Molecular Formula: C21H16N6O2S2Molecular Weight: 448.520740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: MQMKRQLTIWPEDM-UHFFFAOYSA-N

• XL765
IUPAC Name: N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methylbenzamide | CAS Registry Number: 1123889-87-1
Synonyms: XL-765, XL 765, N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide, XL-765, SAR245409, XL765, S1523_Selleck, SureCN8739843, cc-497, CHEBI:71958, MolPort-016-633-225, SAR245409, XL765-Supplied by Selleck Chemicals, CS-0230, RL00494, SAR-245409, NCGC00346541-01, HY-12068, KB-81506, X7418, XL 765, 1123889-87-1, pound molweight:599.65686) , XL 765 , XL-765 , 1123889-87-1

Molecular Formula: C31H29N5O6SMolecular Weight: 599.656860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: HJSSPYJVWLTYHG-UHFFFAOYSA-N

• Y-27632 Dihydrochloride
IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide | CAS Registry Number: 146986-50-7
Synonyms: 2etr, 2gnf, 2gnj, 1q8t, BiomolKI_000071, BiomolKI2_000075, Y-27632 dihydrochloride, CBiol_001962, BSPBio_001234, KBioGR_000574, KBioSS_000574, KBio2_000574, KBio2_003142, KBio2_005710, KBio3_001027, KBio3_001028, CHEBI:150239, Bio1_000248, Bio1_000737, Bio1_001226

Molecular Formula: C14H21N3OMolecular Weight: 247.336040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IYOZTVGMEWJPKR-VOMCLLRMSA-N

• ZM 241385
IUPAC Name: 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol | CAS Registry Number: 139180-30-6
Synonyms: Tocris-1036, CHEBI:284427, CID176407, PDSP1_001201, PDSP2_001185, NCGC00024955-01, NCGC00024955-02, LS-103917, L000636, BRD-K19605405-001-01-9, 4-(2-(7-Amino-2-(2-furyl)(1,2,4)triazolo(2,3-a)(1,3,5)triazin-5-ylamino)ethyl)phenol, Phenol, 4-(2-((7-amino-2-(2-furanyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazin-5-yl)amino)ethyl)-, 4-[2-(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-ethyl]-phenol

Molecular Formula: C16H15N7O2Molecular Weight: 337.336000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: PWTBZOIUWZOPFT-UHFFFAOYSA-N

• Zosuquidar
Synonyms: NCGC00274062-01, Zosuquidar Hydrochloride, AC1MI1NN, 167465-36-3, SureCN12432743, CHEMBL444172, CS-0921, RL02146, HY-15255, RS 33295-198, Zosuquidar|167354-41-8|LY 335979|LY-335979, (|AR)-4-[(1a|A,6|A,10b|A)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-|A-[(5-quinolinyloxy)methyl]-1-piperazineethanol Hydrochloride, (2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol

Molecular Formula: C32H31F2N3O2Molecular Weight: 527.604246 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: IHOVFYSQUDPMCN-XAKVHENESA-N

• 3-[(1R)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-2-Pyridinamine
IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine | CAS Registry Number: 877399-52-5
Synonyms: Crizotinib, PF-2341066, Xalkori, PF-02341066, PF 2341066, CHEBI:64310, 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine, (R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine, 3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1-Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine, SB431542, SB 431542|, UNII-53AH36668S, (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 3-((1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1h-pyrazol-4-yl)pyridin-2-amine, 3-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-[1-(4-PIPERIDINYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-AMINE, VGH, Xalkori (TN), S1068_Selleck, PubChem19322, SureCN93829

Molecular Formula: C21H22Cl2FN5OMolecular Weight: 450.336683 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KTEIFNKAUNYNJU-GFCCVEGCSA-N

• 5-[[7-[3-[ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-Quinazolinyl]amino]-N-(3-Fluorophenyl)-1H-Pyrazole-3-Acetamide
IUPAC Name: 2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate | CAS Registry Number: 722543-31-9
Synonyms: Barasertib, AZD1152, AZD-1152, 957881-03-7, 2-(ETHYL(3-((4-((5-(2-((3-FLUOROPHENYL)AMINO)-2-OXOETHYL)-1H-PYRAZOL-3-YL)AMINO)QUINAZOLIN-7-YL)OXY)PROPYL)AMINO)ETHYL DIHYDROGEN PHOSPHATE, Barasertib [INN], Kinome_3324, PubChem16656, AZD1152 (Barasertib), SureCN613582, UNII-16XC2U7W8N, cc-444, CHEMBL415049, CHEBI:463089, BCPP000362, ABP000116, BCP9000360, CS-0978, AK142987, HY-10127

Molecular Formula: C26H31FN7O6PMolecular Weight: 587.539805 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: GBJVVSCPOBPEIT-UHFFFAOYSA-N

• 8-[4-(1-Aminocyclobutyl)phenyl]-9-Phenyl-1,2,4-Triazolo[3,4-F][1,6]naphthyridin-3(2H)-One Dihydrochloride
IUPAC Name: 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochloride | CAS Registry Number: 1032350-13-2
Synonyms: MK2206, MK-2206, MK 2206, MK-2206 dihydrochloride, MK-2206, MK 2206, 1032350-13-2, MK2206, MK-2206, S1078_Selleck, PubChem22473, cc-295, AKOS015966903, RL00152, MK-2206-Supplied by Selleck Chemicals, HY-10358, KB-55052, X7427, MK 2206|1032350-13-2|MK-2206|MK2206, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f]1,6-naphthyridin-3-one dihydrochloride

Molecular Formula: C25H23Cl2N5OMolecular Weight: 480.389020 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: HWUHTJIKQZZBRA-UHFFFAOYSA-N

• 2-Chloro-N-[4-Chloro-3-(2-Pyridinyl)phenyl]-4-(methylsulfonyl)Benzamide
IUPAC Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide | CAS Registry Number: 879085-55-9
Synonyms: Vismodegib, Erivedge, GDC-0449, HhAntag691, GDC0449, GDC 0449, 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide, UNII-25X868M3DS, CHEBI:66903, 2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide, GDC-0449, GDC0449, GDC 0449, 879085-55-9, 2-chloro-N-(4-chloro-3-pyridin-2-yl-phenyl)-4-methanesulfonyl-benzamide, HhAntag691, GDC0449, Vismodegib, GDC-0449, vismodegibum, HhAntag, 2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide, 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide, Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-, BENZAMIDE, 2-CHLORO-N-[4-CHLORO-3-(2-PYRIDINYL)PHENYL]-4-(METHYLSULFONYL)-, Erivedge (TN)

Molecular Formula: C19H14Cl2N2O3SMolecular Weight: 421.297060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N

• 3-[[[3-[(dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-Dihydro-2-Oxo-1H-Indole-6-Carboxamide
IUPAC Name: (3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxamide | CAS Registry Number: 1094614-84-2
Synonyms: BIX-02188, BIX02188, 334949-59-6, UNII-4Y3VYY2X83, AKOS015966567, CS-0214, RL03227, HY-12055, KB-48105, BIX02188|334949-59-6|BIX-02188, (3Z)-3-[[[3-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-indole-6-carboxamide

Molecular Formula: C25H24N4O2Molecular Weight: 412.483660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: FSZPIAXLCCQFCM-FCQUAONHSA-N

• 3-[[[3-[(dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-Dihydro-N,N-Dimethyl-2-Oxo-1H-Indole-6-Carboxamide
IUPAC Name: (3E)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide | CAS Registry Number: 1094614-85-3
Synonyms: BIX02189, BIX-02189, ABP000923

Molecular Formula: C27H28N4O2Molecular Weight: 440.536820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HOMJAAIVTDVQJA-OCOZRVBESA-N

• 7-[Trans-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(phenylmethoxy)phenyl]-7H-Pyrrolo[2,3-D]pyrimidin-4-Amine
IUPAC Name: 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | CAS Registry Number: 475488-34-7
Synonyms: NVP-AEW541, AEW-541, AEW541, AEW 541, 475489-16-8, SureCN94862, AGN-PC-009VBF, SureCN1441421, SureCN1987652, NVP AEW541, cc-535, NVP-AEW 541, UNII-97QB5037VR, CTK4J0098, BCPP000146, DCL000364, AG-F-61825, BCP9001006, CS-0448, PB19343

Molecular Formula: C27H29N5OMolecular Weight: 439.552060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AECDBHGVIIRMOI-UHFFFAOYSA-N

• 2H-Pyrido[3,2-B]-1,4-Oxazin-3(4H)-One, 6-[[5-Fluoro-2-[(3,4,5-Trimethoxyphenyl)amino]-4-Pyrimidinyl]amino]-2,2-Dimethyl-
IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | CAS Registry Number: 841290-80-0
Synonyms: R406(free base), R-406, 6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, 6-({5-Fluoro-2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}amino)-2,2-Dimethyl-2h-Pyrido[3,2-B][1,4]oxazin-3(4h)-One, 6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one, R 406, 3fqs, 3piy, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one, R406 free base, S1533_Selleck, Kinome_1211, PubChem22483, 841290-81-1, SureCN1200144, QCR-9, cc-243, AGN-PC-004I2D, CHEMBL475251, CTK5F1857

Molecular Formula: C22H23FN6O5Molecular Weight: 470.453623 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

• 2-Oxo-(2H)-Furo(2,3-H)-1-Benzopyran
IUPAC Name: furo[2,3-h]chromen-2-one | CAS Registry Number: 523-50-2
Synonyms: Angelicin, Angecin, ISOPSORALEN, Angelicin (VAN), Furo(2,3-h)coumarin, Angelicin (coumarin deriv), Angelicin (coumarin derivative), CCRIS 4276, Furo(5',4':7,8)coumarin, Oprea1_022970, HSDB 3554, A0956_SIGMA, Bio-0827, 2H-Furo[2,3-H]chromen-2-one, Furo[5',4':7,8]coumarin, CHEBI:28928, C11H6O3, NSC 404563, CID10658, CPD-9815

Molecular Formula: C11H6O3Molecular Weight: 186.163540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XDROKJSWHURZGO-UHFFFAOYSA-N

• 1,4a,5,7a-Tetrahydro-1-Hydroxy-7-(hydroxymethyl)-Cyclopenta(c)pyran-4-Carboxylic Acid Methyl Ester
IUPAC Name: methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | CAS Registry Number: 6902-77-8
Synonyms: Genipin, CID442424, ZINC01681500, C09780

Molecular Formula: C11H14O5Molecular Weight: 226.225860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: AZKVWQKMDGGDSV-BCMRRPTOSA-N

• (+)-Corypalmine
IUPAC Name: 2,9,10-trimethoxy-5,8,11,13a-tetrahydro-4aH-quinolino[1,2-b]isoquinolin-3-ol | CAS Registry Number: 6018-40-2
Synonyms: Corypalmine, Discretinine, CID3083926, 6H-Dibenzo(a,g)quinolizin-3-ol, 5,8,13,13a-tetrahydro-2,9,10-trimethoxy-, (S)-

Molecular Formula: C20H23NO4Molecular Weight: 341.400920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WWVOQNBJYPKUTR-UHFFFAOYSA-N

• 3-[(4-Bromo-2,6-Difluorophenyl)methoxy]-5-[[[[4-(1-Pyrrolidinyl)butyl]amino]carbonyl]amino]-4-Isothiazolecarboxamide
IUPAC Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide | CAS Registry Number: 252003-65-9
Synonyms: CID9811611, CID 9811611, CP 547632, CP-547632, CP-547,632, 3-(4-Bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide, 4-Isothiazolecarboxamide, 3-((4-bromo-2,6-difluorophenyl)methoxy)-5-((((4-(1-pyrrolidinyl)butyl)amino)carbonyl)amino)-

Molecular Formula: C20H24BrF2N5O3SMolecular Weight: 532.402066 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: HXHAJRMTJXHJJZ-UHFFFAOYSA-N

• 1α,25-Dihydroxy-2β-(3-Hydroxypropoxy)vitamin D3
IUPAC Name: (1S,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 104121-92-8
Synonyms: Eldecalcitol, 2-(3-Hydroxypropoxy)calcitriol, ED 71, ED-71, CID6438982, 2-(3-Hydroxypropoxy)-1,25-dihydroxyvitamin D3, 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, 2-(3-hydroxypropoxy)-, (1alpha,2beta,3beta,5Z,7E)-

Molecular Formula: C30H50O5Molecular Weight: 490.715000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: FZEXGDDBXLBRTD-SJSKTVLPSA-N

• 2-(4-Morpholinyl)-8-Phenyl-4h-1-Benzopyran-4-One Hydrochloride
IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-one | CAS Registry Number: 154447-36-6
Synonyms: nchembio790-comp36, Tocris-1130, 1yi3, BiomolKI_000029, Lopac-L-9908, BiomolKI2_000037, LY 294002, CBiol_002046, Lopac0_000710, BSPBio_001223, KBioGR_000563, KBioSS_000563, LY-294,002 hydrochloride, 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one, LY294002, BCBcMAP01_000117, KBio2_000563, KBio2_003131, KBio2_005699, KBio3_001005

Molecular Formula: C19H17NO3Molecular Weight: 307.343180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CZQHHVNHHHRRDU-UHFFFAOYSA-N

• 25-Hydroxyvitamin D2
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 21343-40-8
Synonyms: 25-Hydroxycalciferol, 25-Hydroxyvitamin D, 25-Hydroxyergocalciferol, 25-Hydroxyvitamin D 2, 25-HYDROXYVITAMIN D2, 17937_FLUKA, 17937_SIGMA, LMST03010030, CID5710148, LS-187060, LS-187670, 9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3beta,5Z,7E,22E)-

Molecular Formula: C28H44O2Molecular Weight: 412.647760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KJKIIUAXZGLUND-ICCVIKJNSA-N

• 1,25-Dihydroxyvitamin D2
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 60133-18-8
Synonyms: Ercalcitriol, 1alpha,25-Dihydroxyvitamin D2, 1,25-Dihydroxycalciferol, 1,25-Dihydroxyergocalciferol, Ro 17-6218, 1alpha,25-Dihydroxycalciferol, PubChem19112, 1a,25-Dihydroxycalciferol, 1,25-Dihydroxy vitamin D, 1a,25-Dihydroxyvitamin D2, 1a,25-Dihydroxyergocalciferol, Ercalcitriol|60133-18-8, 1|A,25-Dihydroxy Vitamin D2, 17944_FLUKA, 17944_SIGMA, HMDB06225, MolPort-003-927-272, LMST03010040, CS-0394, HY-32350

Molecular Formula: C28H44O3Molecular Weight: 428.647160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ZGLHBRQAEXKACO-XJRQOBMKSA-N

• 1-Piperidinecarboxamide, N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-
IUPAC Name: N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide | CAS Registry Number: 781649-09-0
Synonyms: Telcagepant, MK-0974, MK 0974, MK0974, Telcagepant (USAN), CHEMBL236593, CHEBI:502280, N-(6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxamide, D09391, N-[(3R,6S)-6-(2,3-Difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide, N7R, CID11319053, 3n7r, CID 11169048, SureCN1198535, UNII-D42O649ALL, C525458, cc-519, QCR-140, N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

Molecular Formula: C26H27F5N6O3Molecular Weight: 566.522996 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: CGDZXLJGHVKVIE-DNVCBOLYSA-N

• 1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-
IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide | CAS Registry Number: 606143-52-6
Synonyms: Selumetinib, AZD 6244, AZD6244, AZD-6244, ARRY-142886, 5-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDE, CHEMBL1614701, NCGC00189073-01, NCGC00189073-02, DSSTox_CID_28870, DSSTox_RID_83139, DSSTox_GSID_48944, 5-(4-broMo-2-chlorophenylaMino)-4-fluoro-N-(2-hydroxyethoxy)-1-Methyl-1H-benzo[d]iMidazole-6-carboxaMide, CAS-606143-52-6, 1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-, PubChem21092, AZD 6244 Selumetinib, Selumetinib (USAN/INN), Array142886, AZD6244 - Selumetinib

Molecular Formula: C17H15BrClFN4O3Molecular Weight: 457.681403 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: CYOHGALHFOKKQC-UHFFFAOYSA-N

• 1h-Indole-5-Ethanesulfonamide, N-Methyl-3-(1-Methyl-4-Piperidinyl)-
IUPAC Name: N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide | CAS Registry Number: 121679-13-8
Synonyms: naratriptan, Amerge, Colatan, Naramig, UNII-QX3KXL1ZA2, CID4440, CHEBI:7478, C17H25N3O2S, DB00952, NCGC00181786-01, LS-83062, C07792, N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide, 1H-Indole-5-ethanesulfonamide, N-methyl-3-(1-methyl-4-piperidinyl)-, N-methyl-2-(3-(1-methylpiperiden-4-yl)indole-5-yl)ethanesulfonamide, N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide, InChI=1/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H

Molecular Formula: C17H25N3O2SMolecular Weight: 335.464300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AMKVXSZCKVJAGH-UHFFFAOYSA-N

• 1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)- 4,9-dihydro-1H-naphtho[2,3-d]imidazolium bromide
IUPAC Name: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione;bromide | CAS Registry Number: 781661-94-7
Synonyms: Sepantronium bromide, YM-155, 4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphth[2,3-d]imidazolium bromide, UNII-7H5Q4J1CM5, CHEMBL2105734, MolPort-021-805-026, Sepantronium bromide (JAN/USAN), Sepantronium bromide [USAN:INN], BCPP000007, ABP000261, CS-0336, RL05028, HY-10194, KB-26636, FT-0660380, X7538, A25644, D10164, YM-155|781661-94-7|Sepantronium bromide|YM 155, 1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide

Molecular Formula: C20H19BrN4O3Molecular Weight: 443.293860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: QBIYUDDJPRGKNJ-UHFFFAOYSA-M

• (+/-)-Chloro-apb hydrobromide
IUPAC Name: 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | CAS Registry Number: 80751-65-1
Synonyms: Cl-Apb, Chloro-APB hydrobromide, Skf-82958, Biomol-NT_000069, C19H20ClNO2, Lopac0_000392, BPBio1_001362, SK&F 82958, CID1225, CHEBI:150187, SKF 82958, SK&F-82958, PDSP1_001515, PDSP2_001499, NCGC00015186-04, NCGC00162140-01, NCGC00162140-02, LS-27998, C071262, L000995

Molecular Formula: C19H20ClNO2Molecular Weight: 329.820600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HJWHHQIVUHOBQN-UHFFFAOYSA-N

• 2H-ISOINDOLE-2-CARBOXYLIC ACID, 4-FLUORO-1,3-DIHYDRO-, (2R,6S,13AS,14AR,16AS)-14A-[[(CYCLOPROPYLSULFONYL)AMINO]CARBONYL]-6-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1,2,3,5,6,7,8,9,10,11,13A,14,14A,15,16,16A-HEXADECAHYDRO-5,16-DIOXOCYCLOPROPA[E]PYRROLO[1,2-A]
Synonyms: Intermune ITMN-191, ITMN B, Danoprevir [USAN:INN], UNII-911Z9PCQ5F, R7227, ITMN 191, R 7227, R05190591, R 05190591, 1001913-18-3, 1225266-12-5, 916881-67-9

Molecular Formula: C35H46FN5O9SMolecular Weight: 731.831243 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: ZVTDLPBHTSMEJZ-QIFYYAQYSA-N

• 3-(4-chlorophenyl) 1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine | CAS Registry Number: 172889-27-9
Synonyms: 1qpe, PP2 cpd, InSolution™ PP2, BiomolKI_000052, PP 2 (enzyme inhibitor), BiomolKI2_000058, Oprea1_738267, BSPBio_001118, KBioGR_000458, KBioSS_000458, MLS000326622, PP 2, Src family kinase inhibitor PP2, AG 1879, KBio2_000458, KBio2_003026, KBio2_005594, KBio3_000855, KBio3_000856, CID4878

Molecular Formula: C15H16ClN5Molecular Weight: 301.774040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-N

• 5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-Pyrrole-3-propanoic acid
IUPAC Name: 3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid | CAS Registry Number: 252916-29-3
Synonyms: TSU68, TSU 68, SU6668, CID5995546, NSC 702827, SU 6668, SU-6668, 3-(4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl)-2-indolinone, 3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid, 1H-Pyrrole-3-propanoic acid, 5-((1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, 245036-27-5, 3-(2,4-Dimethyl-5-((2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-1H-pyrrol-3-yl)propionic acid, 3-{2,4-dimethyl-5-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, 5-((1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-propanoic acid

Molecular Formula: C18H18N2O3Molecular Weight: 310.347120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: NHFDRBXTEDBWCZ-NTEUORMPSA-N

• (1S,2R,3R,4R)-3-(1-ACETAMIDO-2-ETHYL-BUTYL)-4-(DIAMINOMETHYLIDENEAMINO)-2-HYDROXY-CYCLOPENTANE-1-CARBOXYLIC ACID
IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid | CAS Registry Number: 330600-85-6
Synonyms: Peramivir, Rapiacta, BCX-1812, CHEBI:328354, AIDS114230, RWJ-270201, AIDS-114230, CID154234, S-021812, BCZ, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, 229614-56-6, Cyclopentanecarboxylic acid, 3-((1R)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1R,2R,3S,4S)-rel-, Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, (1S,2S,3R,4R)-

Molecular Formula: C15H28N4O4Molecular Weight: 328.407220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N

• 4-(2-Amino-4-methyl-5-thiazolyl)-N-[4-(4-morpholinyl)phenyl]-2-pyrimidinamine
IUPAC Name: 4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine | CAS Registry Number: 693228-63-6
Synonyms: CYC116, CYC-116, CYC116, Kinome_636, S1171_Selleck, CYC-116, 2c5t, AC1O4WKE, CHEMBL482967, CHEBI:620120, 4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine, 2uue, CID6420138, cc-470, CYC 116, BCPP000273, HMS3244O11, HMS3244O12, HMS3244P11, ABP000122, DCL001070

Molecular Formula: C18H20N6OSMolecular Weight: 368.456000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GPSZYOIFQZPWEJ-UHFFFAOYSA-N


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