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China ShengDa Pharmaceutical Company

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Profile: China ShengDa Pharmaceutical Company is an ISO 14001:2004 & ISO 9001:2000 certified company. Our product line includes tannic acid, tretinoin, minoxidil, dipyridamole, telicoplanin, and calcipotriol. We also offer hydroxypropyl methylcellulose, macromolecule, polyacrylamide, and hydroxyethylcellulose.

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• A-674563
IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine | CAS Registry Number: 552325-73-2
Synonyms: A674563, (2s)-1-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-Phenylpropan-2-Amine, SureCN2191602, cc-293, CHEMBL379218, MolPort-021-804-899, BCP9000207, CS-0486, DB08568, QC-7249, NCGC00263147-01, HY-13254, X7452, A 674563, 5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole, A-674563;552325-73-2, A-674563|552325-73-2|A674563, (S)-1-(5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine, SS3

Molecular Formula: C22H22N4OMolecular Weight: 358.436280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-N

• A-966492
IUPAC Name: 2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide | CAS Registry Number: 934162-61-5
Synonyms: SureCN526635, CHEMBL1090467, QCR-142, CHEBI:722190, BCP9000210, EX-7208, KB-47023, X7570, A24882, A966492, A 966492, 2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide, 2-(2-fluoro-4-((S)-pyrrolidin-2-yl)phenyl)-3H-benzo[d]imidazole-4-carboxamide, 2-(2-fluoro-4-((S)-pyrrolidin-2-yl)phenyl)-3H-benzo[d]imidazole-4-carboxamidef

Molecular Formula: C18H17FN4OMolecular Weight: 324.352183 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AHIVQGOUBLVTCB-AWEZNQCLSA-N

• A-Cyano-(3,4-dihydroxy)-N-benzylcinnamide
IUPAC Name: (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide | CAS Registry Number: 134036-52-5
Synonyms: AC1NS47P, 2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide, CHEMBL1257042, ABP000823, ZINC12352668, AKOS005146338, BRD-K12357156-001-01-5, (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide

Molecular Formula: C17H14N2O3Molecular Weight: 294.304660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: TUCIOBMMDDOEMM-ZSOIEALJSA-N

• a-D-xylo-Hept-6-enofuranose, 5,6,7-trideoxy-1,2-O-(1-methylethylidene)-
IUPAC Name: (3aR,5R,6S,6aR)-2,2-dimethyl-5-prop-2-enyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol | CAS Registry Number: 546141-37-1
Synonyms: (3aR,5R,6S,6aR)-5-allyl-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol, SCHEMBL14403626, A1-00504

Molecular Formula: C10H16O4Molecular Weight: 200.231640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SUSNJGPKFATXCV-BZNPZCIMSA-N

• Abiraterone
IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 154229-19-3
Synonyms: UNII-G819A456D0, CHEBI:522175, CID132971, ZINC03797541, CB 7598, CB-7598, 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-, (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C24H31NOMolecular Weight: 349.509040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

• ABT 737
IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide | CAS Registry Number: 852808-04-9
Synonyms: ABT-737, ABT737, 4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]benzamide, Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-, 2yxj, 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, S1002_Selleck, PubChem20162, SureCN158942, UNII-Z5NFR173NV, cc-242, CHEMBL376408, QCR-51, N-Benylpiperazine derivative, 2, ABP000128, DNC007115, AKOS016003299, AM81254, CS-0014, ABT-737-Supplied by Selleck Chemicals

Molecular Formula: C42H45ClN6O5S2Molecular Weight: 813.426900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HPLNQCPCUACXLM-PGUFJCEWSA-N

• ABT-263
IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide | CAS Registry Number: 923564-51-6
Synonyms: ABT 263, CHEBI:608147, 1000696-69-4, 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({4-({(1R)-3-morpholin-4-yl-1-[(phenylsulfanyl)methyl]propyl}amino)-3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)benzamide, Benzamide, 4-(4-((2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((4-(((1R)-3-(4-morpholinyl)-1-((phenylthio)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)-

Molecular Formula: C47H55ClF3N5O6S3Molecular Weight: 974.612710 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 13

InChIKey: JLYAXFNOILIKPP-KXQOOQHDSA-N

• ABT-869 (Linifanib)
IUPAC Name: 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea | CAS Registry Number: 796967-16-3
Synonyms: ABT-869, ABT 869, CHEBI:471147, CID11485656, EC-000.2119, N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea, 1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea, N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N1-(2-fluoro-5-methylphenyl)urea, N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea, Urea, N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)-

Molecular Formula: C21H18FN5OMolecular Weight: 375.398923 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: MPVGZUGXCQEXTM-UHFFFAOYSA-N

• ABTS
IUPAC Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid | CAS Registry Number: 30931-67-0
Synonyms: 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, 2,2'-Azinodi-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt, 6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt, 28752-68-3

Molecular Formula: C18H18N4O6S4Molecular Weight: 514.618720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: ZTOJFFHGPLIVKC-YAFCTCPESA-N

• AC-DEVD-AMC
IUPAC Name: 4-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-[[1-[[4-hydroxy-1-[(4-methyl-2-oxochromen-7-yl)amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid | CAS Registry Number: 169332-61-0
Synonyms: Ac-DEVD-AMC, CPP32/Apopain Substrate, Ac-Asp-Glu-Val-Asp-AMC, AMC138, CID1992, ICE (CASPASE I) SUBSTRATE, Ac-Asp-Glu-Val-Asp-7-Amino-4-Methylcoumarin

Molecular Formula: C30H37N5O13Molecular Weight: 675.640480 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 13

InChIKey: ALZSTTDFHZHSCA-UHFFFAOYSA-N

• AC-DEVD-PNA
IUPAC Name: 4-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-[[1-[[4-hydroxy-1-(4-nitroanilino)-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid | CAS Registry Number: 189950-66-1
Synonyms: Ac-D-E-V-D-PNA, Ac-Asp-Glu-Val-Asp-PNA, PNA138, CID4329, Ac-Asp-Glu-Val-Asp-paranitroanilide, Acetyl-aspartyl-glutamyl-valyl-aspartic Acid P-nitroanilide

Molecular Formula: C26H34N6O13Molecular Weight: 638.580560 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 13

InChIKey: GGXRLUDNGFFUKI-UHFFFAOYSA-N

• Ac-IETD-pNA
IUPAC Name: (4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Molecular Formula: C27H38N6O12Molecular Weight: 638.623620 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 12

InChIKey: FHURKTIGZAIQGR-BQCLNCLCSA-N

• AC-IETD-SSNA
IUPAC Name: (4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid | CAS Registry Number: 219138-21-3
Synonyms: Ac-I-E-T-D-PNA, Ac-Ile-Glu-Thr-Asp-PNA, Ac-Ile-Glu-Thr-Asp-paranitroanilide, AC-IETD-PNA, SCHEMBL4594304

Molecular Formula: C27H38N6O12Molecular Weight: 638.623620 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 12

InChIKey: FHURKTIGZAIQGR-BQCLNCLCSA-N

• Acetic Acid, 2-[[4-Chloro-6-[(2,3-Dimethylphenyl)amino]-2-Pyrimidinyl]thio]-
IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid | CAS Registry Number: 50892-23-4
Synonyms: Pirinixic acid, Pirnixic acid, Acido pirinixico, Acide pirinixique, Acidum pirinixicum, CXPTA, Pirinixic acid [INN], Tocris-1312, Wyeth 14,643, Spectrum5_001947, Wyeth-14643, CCRIS 133, Wyeth-14,643, NCIStruc1_001774, NCIStruc2_001509, WY-14643, UNII-86C4MRT55A, Acide pirinixique [INN-French], Acido pirinixico [INN-Spanish], Acidum pirinixicum [INN-Latin]

Molecular Formula: C14H14ClN3O2SMolecular Weight: 323.797860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SZRPDCCEHVWOJX-UHFFFAOYSA-N

• AG 490; (E)-2-CYANO-3-(3,4-DIHYDROPHENYL)-N-BENZYL-2-PRO PENAMIDE
IUPAC Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide | CAS Registry Number: 133550-30-8
Synonyms: Tyrphostin B42, 2-Propenamide, Tyrphostin AG 490, tyrphostin AG-490, Tyrphostin deriv. 42, Tocris-0414, BiomolKI_000025, Lopac-T-3434, Tyrphostin-?AG-?490, BiomolKI2_000033, AG490, Lopac0_001166, BSPBio_001396, MLS002153172, T3434_SIGMA, AG 490, AG-490, CHEBI:187221, MolPort-001-761-274, AIDS080808

Molecular Formula: C17H14N2O3Molecular Weight: 294.304660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: TUCIOBMMDDOEMM-RIYZIHGNSA-N

• AG-14699
Synonyms: AG-014699, Rucaparib phosphate, PF-01367338, AG 014699, AG014699, AG-014447, AG-14447, Rucaparib, PF-01367338, AG-014447, 459868-92-9, PubChem22411, cc-55, Rucaparib AG 014699, SureCN844872, Rucaparib phosphate (USAN), AG-014699 - Rucaparib, CHEMBL2105733, AG-014447 (as free base), ABP000420, CO-338, KB-80434, AG-014699-Supplied by Selleck Chemicals

Molecular Formula: C19H21FN3O5PMolecular Weight: 421.359305 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: FCCGJTKEKXUBFZ-UHFFFAOYSA-N

• AG-L-59687
IUPAC Name: (2S,3R,4S,5S,6R)-2-[8-[2-amino-6-[(4-bromothiophen-2-yl)methoxy]purin-9-yl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 793035-88-8
Synonyms: RL05061, 8-(2-amino-6-((4-bromo-2-thienyl)methoxy)-9h-purin-9-yl)octyl-alpha-d-glucopyranoside

Molecular Formula: C24H34BrN5O7SMolecular Weight: 616.525060 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: WAAZBVOGWRQLMB-GBHDBEGYSA-N

• AGI-5198
IUPAC Name: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide | CAS Registry Number: 1355326-35-0
Synonyms: CHEMBL2180727, AGI5198, QCR-214, AGI 5198, CS-1429, NCGC00347934-01, S900006220, AGI-5198|1355326-35-0|AGI5198|AGI 5198|IDH C35, N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide

Molecular Formula: C27H31FN4O2Molecular Weight: 462.559043 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FNYGWXSATBUBER-UHFFFAOYSA-N

• Agomelatine
IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 138112-76-2
Synonyms: Valdoxan, Thymanax, Agomelatine [INN], Valdoxan (TN), Agomelatine (INN), AGO-178, AGO178, C15H17NO2, AGO 178, CID82148, PDSP1_001305, PDSP1_001784, PDSP2_001289, PDSP2_001767, LS-9830, S20098, N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide, N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide, S 20098, S-20098

Molecular Formula: C15H17NO2Molecular Weight: 243.300980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N

• Alcaftadine
IUPAC Name: 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde | CAS Registry Number: 147084-10-4
Synonyms: Alcaftadine (USAN/INN), D06552

Molecular Formula: C19H21N3OMolecular Weight: 307.389540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MWTBKTRZPHJQLH-UHFFFAOYSA-N

• Almitrine Bismesylate
IUPAC Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-di(prop-2-enyl)-1,3,5-triazine-2,4-diamine; methanesulfonic acid | CAS Registry Number: 29608-49-9
Synonyms: Vectarion, Almitrine dimesylate, Almitrine bismesylate, Almitrine dimethanesulfonate, S 2620 bismethanesulfonate, Almitrine bismethane sulfonate, EINECS 249-726-1, C26H29F2N7.2CH4O3S, LS-155220, (Diallylamino-4'-6'-triazinyl-2')-1-(bis p-fluorobenzydryl)-4 piperazine bis methanesulfonate, 1,3,5-Triazine-2,4-diamine, 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-, dimethanesulfonate, N,N'-Diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diamine dimethanesulphonate, 2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine dimethanesulfonate, 27469-53-0, 6-(4-(Bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine dimethanesulfonate

Molecular Formula: C27H33F2N7O3SMolecular Weight: 573.657826 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: QLOOZWWKRKLKMX-UHFFFAOYSA-N

• Almitrine Bismesylate INN
• Alogliptin
IUPAC Name: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile; benzoic acid | CAS Registry Number: 850649-62-6
Synonyms: Alogliptin benzoate, Alogliptin benzoate (USAN), SYR-322, D06553

Molecular Formula: C25H27N5O4Molecular Weight: 461.512980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: KEJICOXJTRHYAK-XFULWGLBSA-N

• ALOGLIPTIN(ALOGLIPTINE, ALOGLIPTINA)
IUPAC Name: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile | CAS Registry Number: 850649-61-5
Synonyms: Alogliptin, UNII-JHC049LO86, CHEMBL376359, CHEBI:72323, MolPort-005-933-065, 2-({6-[(3r)-3-Aminopiperidin-1-Yl]-3-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl}methyl)benzonitrile, alogliptina, alogliptine, alogliptinum, CID11450633, Alogliptin (SYR-322), SureCN121028, JHC049LO86, DCL000421, DB06203, FT-0661522, X4993, 2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile

Molecular Formula: C18H21N5O2Molecular Weight: 339.391640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZSBOMTDTBDDKMP-OAHLLOKOSA-N

• alpha-Cyclopentylmandelic acid
IUPAC Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 427-49-6
Synonyms: Cyclopentylphenylglycolic acid, Oprea1_794057, MLS000036193, Mandelic acid, alpha-cyclopentyl, CID98283, NSC96637, EINECS 207-047-8, SBB010054, SMR000034062

Molecular Formula: C13H16O3Molecular Weight: 220.264340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WFLUEQCOAQCQLP-UHFFFAOYSA-N

• Alvespimycin
IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | CAS Registry Number: 467214-20-6
Synonyms: alvespimycin, 17-DMAG, KOS-1022, NSC707545, 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin, KOS1022, KOS 1022, Alvespimycin [INN], DMAG, AC1NRBWB, SureCN5449716, UNII-001L2FE0M3, CHEMBL383824, 17-dimethylaminoethylamino-17-demethoxygeldanamycin, ABP000223, CS-0912, ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(2-dimethylaminoethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaen-9-yl) carbamate, HY-10389, X8446, 150270-08-9

Molecular Formula: C32H48N4O8Molecular Weight: 616.745520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: KUFRQPKVAWMTJO-LMZWQJSESA-N

• AM 630
IUPAC Name: [6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone | CAS Registry Number: 164178-33-0
Synonyms: AM-630, AM630, (6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone, iodopravadoline, [6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone, 6-iodopravadoline, S1543_Selleck, Tocris-1120, AC1N7ICI, AM 630;Iodopravadoline;, SureCN2545822, CHEMBL181633, CTK0I0704, CHEBI:402896, MolPort-003-983-508, BCPP000412, HMS3267M04, ABP000810, ANW-45821, DNC004939

Molecular Formula: C23H25IN2O3Molecular Weight: 504.360670 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JHOTYHDSLIUKCJ-UHFFFAOYSA-N

• AMG 208
IUPAC Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline | CAS Registry Number: 1002304-34-8
Synonyms: AMG-208, 7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)quinoline, AMG208, 1002304-34-8, AMG208, AMG-208, 7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methoxy)quinoline, Triazolopyridazine, 4, S1316_Selleck, 3cd8, UNII-Y2SR66P7VM, SureCN9910136, cc-218, AMG208, CHEMBL496102, QCR-184, MolPort-016-633-199, AKOS015852294, BCP9000287, CS-0185, DB08079, RL00020

Molecular Formula: C22H17N5O2Molecular Weight: 383.402680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: HEAIZQNMNCHNFD-UHFFFAOYSA-N

• AMG900
IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine | CAS Registry Number: 945595-80-2
Synonyms: AMG 900, AMG-900, N-(4-(3-(2-aminopyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-(4-methylthiophen-2-yl)phthalazin-1-amine, cc-2, SureCN503564, UNII-9R2G075611, BCP9000292, CS-0485, QC-9197, RL05957, NCGC00263094-01, HY-13253, X7461, AMG900; 945595-80-2, AMG 900|945595-80-2|AMG900, N-(4-(3-(2-aminopyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-(4-methylthiophen- 2-yl)phthalazin-1-amine, N-(4-{[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)-4-(4-methylthiophen-2-yl)phthalazin-1-amine

Molecular Formula: C28H21N7OSMolecular Weight: 503.577640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: IVUGFMLRJOCGAS-UHFFFAOYSA-N

• Amonafide
Synonyms: Nafidimide, Amonifide, Amonafidum, Amonafida, Quinamed, Xanafide, Benzisoquinolinedione, 5-Aminomitonafide, Amonafidum [Latin], Amonafida [Spanish], Amonafide [INN], BIDA, NCIMech_000383, NSC308847, MLS000757039, UNII-1Q8D39N37L, M-FA 142, M-FA-142, NSC-308847, CGX-571

Molecular Formula: C16H17N3O2Molecular Weight: 283.325080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UPALIKSFLSVKIS-UHFFFAOYSA-N

• Amrubicin
IUPAC Name: (7S,9S)-9-acetyl-9-amino-7-(4,5-dihydroxyoxan-2-yl)oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 110267-81-7
Synonyms: Amrubicin [INN], UNII-93N13LB4Z2, CID178149, LS-183761, ( -)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione, (+-)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione

Molecular Formula: C25H25NO9Molecular Weight: 483.467300 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: VJZITPJGSQKZMX-HUVCIAIMSA-N

• Amsilarotene
IUPAC Name: 4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic acid | CAS Registry Number: 125973-56-0
Synonyms: Am 555S, Am-555S, TAC-101, TAC 101, CHEBI:145921, MolPort-005-942-618, CID9800306, 4-(3,5-Bis(trimethylsilyl)benzamido) benzoic acid, 4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic Acid, Benzoic acid, 4-((3,5-bis(trimethylsilyl)benzoyl)amino)-, 4-(3,5-Bis-trimethylsilanyl-benzoylamino)-benzoic acid(Am555S)

Molecular Formula: C20H27NO3Si2Molecular Weight: 385.604280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VVTNSTLJOVCBDL-UHFFFAOYSA-N

• Anamorelin
IUPAC Name: 2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide | CAS Registry Number: 249921-19-5
Synonyms: UNII-DD5RBA1NKF, RC 1291, Anamorelin [INN], DD5RBA1NKF, SureCN935751, ONO7643, ONO 7643, ONO-7643, DCL000049, RC1291, CS-1036, HY-14734, Anamorelin|249921-19-5|ONO-7643|RC1291|ONO7643|RC 1291|ONO 7643, 3-Piperidinecarboxylic acid, 1-(2-methylalanyl-D-tryptophyl)-3-(phenylmethyl)-, trimethylhydrazide, (3R)-

Molecular Formula: C31H42N6O3Molecular Weight: 546.703580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: VQPFSIRUEPQQPP-MXBOTTGLSA-N

• Anidulafungin
Synonyms: Eraxis, Eraxis (TN), Anidulafungin (USAN), D03211

Molecular Formula: C58H73N7O17Molecular Weight: 1140.236920 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 17

InChIKey: JHVAMHSQVVQIOT-SYUWSXCKSA-N

• AP24534
IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide | CAS Registry Number: 943319-70-8
Synonyms: PONATINIB, Iclusig, AP-24534, AP-24534, Ponatinib, AP24534, AP 24534, UNII-4340891KFS, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide, 3-(2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide, BENZAMIDE, 3-(2-IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-[4-[(4-METHYL-1-PIPERAZINYL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL]-, 0LI, 3-(Imidazo[1,2-B]pyridazin-3-Ylethynyl)-4-Methyl-N-{4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl}benzamide, S1490_Selleck, AP24534,Ponatinib, Ponatinib (USAN/INN), Ponatinib [USAN:INN], AP24534 - Ponatinib, Ponatinib (AP24534), SureCN589260, QCR-6, cc-191

Molecular Formula: C29H27F3N6OMolecular Weight: 532.559490 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

• APOPTOSIS ACTIVATOR 2
IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione | CAS Registry Number: 79183-19-0
Synonyms: Apoptosis Activator II, Tocris-2098, CBMicro_042945, Isatin-based compound, 16, CHEBI:471740, MolPort-002-181-853, ZINC02276110, HSCI1_000276, IN1411, STK215768, CID1901244, 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione, NCGC00025353-01, 11E-386S, BIM-0043056.P001, 1-(3,4-dichlorobenzyl)indoline-2,3-dione, EC-000.2382, BRD-K15164005-001-01-5

Molecular Formula: C15H9Cl2NO2Molecular Weight: 306.143460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KGRJPLRFGLMQMV-UHFFFAOYSA-N

• Aprepitant
IUPAC Name: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | CAS Registry Number: 170729-80-3
Synonyms: Emend, Aprepitant [USAN], MK 869, MK 0869, DB00673, NCGC00181785-01, LS-156477, L 754030, 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, 3H-1,2,4-Triazol-3-one, 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, (2R-(2alpha(R*),3alpha))-, 221350-96-5, 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Molecular Formula: C23H21F7N4O3Molecular Weight: 534.426662 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ATALOFNDEOCMKK-BYYRLHKVSA-N

• ARN-509
IUPAC Name: 4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide | CAS Registry Number: 956104-40-8
Synonyms: ARN509, ARN 509, Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl-, 4-(7-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro(3.4)octan-5-yl)-2-fluoro-N-methylbenzamide, 4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO[3.4]OCTAN-5-YL)-2-FLUORO-N-METHYLBENZAMIDE, cc-670, UNII-4T36H88UA7, QCR-211, AMX10207, CS-0885, PB27306, RL06020, NCGC00346725-01, HY-16060, Y0375, ARN-509|956104-40-8|ARN509, 1361232-32-7, 4-(7-(6-cyano-5-(trifluoroMethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspirooctan-5-yl)-2-fluoro-N-MethylbenzaMide

Molecular Formula: C21H15F4N5O2SMolecular Weight: 477.434713 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: HJBWBFZLDZWPHF-UHFFFAOYSA-N

• ARQ-197
Synonyms: Tivantinib, ARQ 197, 905854-02-6, (3R,4R)-3-(5,6-Dihydro-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, ARQ197, (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, 1228508-24-4, Tivantinib [INN], ARQ 197, Tivantinib, Tivantinib (USAN/INN), Tivantinib [USAN:INN], SureCN44944, ARQ 197 (Tivantinib), cc-86, UNII-PJ4H73IL17, CHEMBL2103882, QCR-102, ARQ-197,Tivantinib, ARQ197, ARQ197; ARQ-197;Tivantinib, BCPP000042

Molecular Formula: C23H19N3O2Molecular Weight: 369.415860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UCEQXRCJXIVODC-PMACEKPBSA-N

• ARRY-520
IUPAC Name: (2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide

Molecular Formula: C20H22F2N4O2SMolecular Weight: 420.476086 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: LLXISKGBWFTGEI-FQEVSTJZSA-N

• ARRY-543 (CAS: 114629-86-8)
• AS 252424
IUPAC Name: 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 900515-16-4
Synonyms: AGN-PC-00D0WV, CTK5G7332, (5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione, 5-((5-(4-Fluoro-2-hydroxyphenyl)furan-2-yl)methylene)thiazolidine-2,4-dione, HMS3244G19, HMS3244G20, HMS3244H19, 1138220-19-5, AG-H-68553, NCGC00185997-03, KB-243175

Molecular Formula: C14H8FNO4SMolecular Weight: 305.281023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: OYYVWNDMOQPMGE-UHFFFAOYSA-N

• AS703569(R763)
IUPAC Name: (1S,2S,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Molecular Formula: C24H30FN7OMolecular Weight: 451.550 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: KSOVGRCOLZZTPF-PEVOYICTSA-N

• ASC-J9
IUPAC Name: (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one | CAS Registry Number: 917813-54-8
Synonyms: Dimethylcurcumin, 52328-98-0, 1,7-Bis-(3,4-dimethoxyphenyl)-5-hydroxy-hepta-1,4,6-trien-3-one, Curcumin dimethyl ether, ASC J9, ASCJ-9, AC1O53VS, UNII-D60XLY608D, Go-Y025, CHEMBL128748, GO Y025, CHEBI:312538, GO-Y-025, NSC734923, RSC004738, AKOS015891371, CS-0533, LS40141, NSC-734923, AK-48591

Molecular Formula: C23H24O6Molecular Weight: 396.433060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ZMGUKFHHNQMKJI-CIOHCNBKSA-N

• Ascomycin
Synonyms: ascomycin, Immunomycin, A3835_SIGMA, FK 520, FR 520, NSC 106410, NSC-106410, CID6437370, FR 900520, NCGC00179225-01, LS-22015, LS-64246, L 683590, Ascomycin from Streptomyces hygroscopicus var. ascomyceticus, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,19S*,26aR*))-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetram, 11011-38-4, 126340-36-1, 133876-12-7, 137767-75-0

Molecular Formula: C43H69NO12Molecular Weight: 792.007460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: ZDQSOHOQTUFQEM-PKUCKEGBSA-N

• Ascomycin [fk-520]
Synonyms: ascomycin, AIDS093221, AIDS-093221, NSC106410, FR-900520, 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-

Molecular Formula: C43H69NO12Molecular Weight: 792.007460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: ZDQSOHOQTUFQEM-BFFCMSJVSA-N

• Asenapine
Synonyms: Org 5222, Org-5222, EINECS 265-829-4, CID163091, PDSP1_001600, PDSP2_001584, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3-6,7)oxepino(4,5-c)pyrrole, trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole

Molecular Formula: C17H16ClNOMolecular Weight: 285.768040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VSWBSWWIRNCQIJ-HUUCEWRRSA-N

• ASP

Molecular Formula: C121H168N26O33S4Molecular Weight: 2643.043020 [g/mol]
H-Bond Donor: 34H-Bond Acceptor: 41

InChIKey: OQGZWNZGVYLIFX-JQWUVQPESA-N

• ASP3026
IUPAC Name: 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | CAS Registry Number: 1097917-15-1
Synonyms: ASP-3026, N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine, UNII-HP4L6MXF10, SureCN2827739, cc-325, QCR-144, ASP 3026, CS-0787, RL00420, NCGC00345791-01, HY-13326, ASP3026|1097917-15-1|ASP-3026

Molecular Formula: C29H40N8O3SMolecular Weight: 580.744700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: MGGBYMDAPCCKCT-UHFFFAOYSA-N

• AT-406
IUPAC Name: (5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide | CAS Registry Number: 1071992-57-8
Synonyms: 1071992-99-8, AT406, AT 406, SM 406, CHEMBL2158051, QCR-136, (5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide, GTPL7729, SCHEMBL2724374, CHEMBL3187414, SM406, AT406 (SM-406), CS-0962, RL00314, NCGC00346675-01, BC261873, HY-15454, KB-277367, Y0357, S-7672

Molecular Formula: C32H43N5O4Molecular Weight: 561.714920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: LSXUTRRVVSPWDZ-MKKUMYSQSA-N


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