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• Lopinavir
IUPAC Name: (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | CAS Registry Number: 192725-17-0
Synonyms: Aluviran, Kaletra, Koletra, Aluvia, Mixture Name, 1mui, ABT-378, Component of Kaletra, 2o4s, 2q5k, ABT 378, Lopinavir (JAN/USAN/INN), Lopinavir [USAN:INN:BAN], ABT-378, LOPINAVIR, RS-346, AIDS032937, C37H48N4O5, AIDS-032937, ABT 157378, DB01601

Molecular Formula: C37H48N4O5Molecular Weight: 628.800820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: KJHKTHWMRKYKJE-SUGCFTRWSA-N

• Lupeol
IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol | CAS Registry Number: 545-47-1
Synonyms: Fagarsterol, Clerodol, Lupenol, farganasterol, Monogynol B, Fagarasterol, Triterpene lupeol, .beta.-Viscol, CPD-90, NSC90487, CHEBI:171670, Lup-20(29)-en-3.beta.-ol, CID259846, ZINC04081455, LMPR0106130001, NCI60_042005, Lup-20(29)-en-3-ol, (3.beta.)-, C08628, (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-icosahydro-cyclopenta[a]chrysen-9-ol

Molecular Formula: C30H50OMolecular Weight: 426.717400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-N

• LY 246736 Dihydrate
IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid dihydrate | CAS Registry Number: 170098-38-1
Synonyms: Entereg, Alvimopan, Alvimopan hydrate, Entrareg, Alvimopan dihydrate, Entereg (TN), Alvimopan (USAN), Alvimopan [USAN], LY 246736 dihydrate, LY-246736 dihydrate, Adl 8-2698, UNII-677C126AET, 156053-89-3 (anhydrous), ADL-8-2698, CID5488547, LS-72704, D02878, (((2S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanoyl)amino)acetic acid dihydrate, Glycine, N-((2S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-, dihydrate, Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-,dihydrate, (3R-(1(S*),3-alpha,4-alpha))-

Molecular Formula: C25H36N2O6Molecular Weight: 460.563140 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: USPVLEIQIUNQGE-DBFLIVQGSA-N

• LY364947
IUPAC Name: 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline | CAS Registry Number: 396129-53-6
Synonyms: 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE, TbetaR-I Inhibitor, ALK5 Inhibitor I, LY-364947, TGF-beta RI Kinase Inhibitor, Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor, LY 364947, [3-(Pyridin-2-yl)-4-(4-quinonyl)]-1H-pyrazole, PY1, 4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)quinoline, 4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline, HTS 466284, HTS-466284, 1py5, AC1L9LFY, Peakdale1_000394, SureCN373665, Ambpe3000655, cc-654, L6293_SIGMA

Molecular Formula: C17H12N4Molecular Weight: 272.303980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IBCXZJCWDGCXQT-UHFFFAOYSA-N

• Maxacalcitol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 103909-75-7
Synonyms: Prezios, Oxarol, 22-Oxacalcitriol, 22-oxa-calcitriol, Prezios (TN), Oxarol (TN), Maxacalcitol [USAN], Sch 209579, Maxacalcitol (JAN/USAN/INN), 1,25-Dihydroxy-22-oxavitamin D3, 22-Oxa-1,25-dihydroxyvitamin D3, Sch-209579, C26H42O4, MC 1275, 22-Oxa-1,25(OH)2D3, LMST03020060, ZINC04474617, CID6398761, MC-1275, 1alpha,25-Dihydroxy-22-oxavitamin D3

Molecular Formula: C26H42O4Molecular Weight: 418.609280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DTXXSJZBSTYZKE-ZDQKKZTESA-N

• MDV-3100
IUPAC Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide | CAS Registry Number: 915087-33-1
Synonyms: Enzalutamide, MDV3100, MDV 3100, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-N-methylbenzamide, XTANDI, UNII-93T0T9GKNU, CHEBI:68534, MDV-3100, 915087-33-1, MDV-3100, MDV3100, 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide, 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide, 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluoro-N-methylbenzamide, Xtandi (TN), S1250_Selleck, PubChem19320, MDV3100 Enzalutamide, AGN-PC-00QCRK, Enzalutamide (JAN/USAN), MDV3100 (Enzalutamide), 93T0T9GKNU

Molecular Formula: C21H16F4N4O2SMolecular Weight: 464.435953 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: WXCXUHSOUPDCQV-UHFFFAOYSA-N

• MEK162; ARRY-162; ARRY-438162
IUPAC Name: 6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide | CAS Registry Number: 606143-89-9
Synonyms: MEK162, ARRY 162, 5-[(4-Bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, ARRY-162; ARRY-438162; MEK 162; ARRY 162; ARRY 438162, cc-455, MEK 162, MEK-162, QCR-138, ARRY-162,MEK-162, ARRY 438162, ARRY-438162, CS-0627, RL04283, NCGC00345804-01, HY-15202, KB-78305, cas:606143-89-9;MEK162, KB-124302, MEK162|606143-89-9|ARRY-438162|MEK 162|ARRY 162|ARRY 438162, 6-(4-bromo-2-fluorophenylamino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-3H-benzo[d]imidazole-5-carboxamide

Molecular Formula: C17H15BrF2N4O3Molecular Weight: 441.226806 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: ACWZRVQXLIRSDF-UHFFFAOYSA-N

• Methyl 1-(Diphenylmethyl)Azetidine-3-Carboxylate
IUPAC Name: methyl 1-benzhydrylazetidine-3-carboxylate | CAS Registry Number: 53871-06-0
Synonyms: METHYL 1-(DIPHENYLMETHYL)AZETIDINE-3-CARBOXYLATE, Methyl 1-benzhydrylazetidine-3-carboxylate, Methyl 1-benzhydrylazetane-3-carboxylate, 1-benzhydrylazetidine-3-carboxylic acid methyl ester, n-benzhydrylazetidine-3-carboxylic acid methyl ester, 3-azetidinecarboxylic acid, 1-(diphenylmethyl)-, methyl ester, AC1MC1BZ, SureCN72964, CTK6J0938, MolPort-000-157-182, AB3920, ANW-45607, ZINC55168508, AKOS015851362, AG-C-12081, PB10248, RP29862, AK-35550, AM804016, KB-53596

Molecular Formula: C18H19NO2Molecular Weight: 281.348960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CNJNDJUSCWVDNF-UHFFFAOYSA-N

• Methyl 1-Benzyloxycarbonylazetidine-3-Carboxylate
IUPAC Name: 1-O-benzyl 3-O-methyl azetidine-1,3-dicarboxylate | CAS Registry Number: 757239-60-4
Synonyms: 1-CBZ-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER, 1-BENZYL 3-METHYL AZETIDINE-1,3-DICARBOXYLATE, Methyl 1-Cbz-azetidine-3-carboxylate, AG-H-01945, Azetidine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester, SureCN630153, CTK5E1918, MolPort-003-982-182, HT799, ANW-53983, AKOS015851361, PB10887, RP28850, AK-59502, KB-47475, AM20041123, B-1845, A838498, BENZYL METHYL AZETIDINE-1,3-DICARBOXYLATE, I14-20477

Molecular Formula: C13H15NO4Molecular Weight: 249.262500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VMBHUIMZBSWWCN-UHFFFAOYSA-N

• Methyl Indolyl-3-glyoxylate
IUPAC Name: methyl 2-(1H-indol-3-yl)-2-oxoacetate | CAS Registry Number: 18372-22-0
Synonyms: Methyl 3-indoleglyoxylate, CBMicro_025140, 515213_ALDRICH, ZINC02169007, Methyl 1H-indol-3-yl(oxo)acetate, CID588944, INDOLE-3-GLYOXYLIC METHYLESTER, Indole-3-glyoxylic acid, methyl ester, BAS 00654949, BIM-0025047.P001, ST5236877, TL8006243, EU-0001423, (1H-Indol-3-yl)-oxo-acetic acid methyl ester, I-2810

Molecular Formula: C11H9NO3Molecular Weight: 203.194060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VFIJGAWYVXDYLK-UHFFFAOYSA-N

• Miboplatin
IUPAC Name: cyclobutane-1,1-dicarboxylate; platinum(2+); [(2R)-pyrrolidin-2-yl]methanamine | CAS Registry Number: 103775-75-3
Synonyms: Dwa 2114, Dwa2114R, CCRIS 5235, DWA 2114R, CID72031, (-)-(R)-2-Aminomethylpyrrolidine(1,1-cyclobutanedicarboxylato)platinum(II) hydrate, (-)-Cis-((R)-2-(aminomethyl)pyrrolidine)(1,1-cyclobutanedicarboxylato)platinum, Platinum, (1,1-cyclobutanedi(carboxylato-kappaO)(2-))((1R,2R)-2-pyrrolidinemethanamine-kappaN1,kappaN2)-, (SP-4-3)-, Platinum, (1,1-cyclobutanedi(carboxylato-kappaO)(2-))(2-pyrrolidinemethanamine-kappaN1,kappaN2)-, (SP-4-3(1R-(cis))-, Platinum, (1,1-cyclobutanedicarboxylato(2-))(2-pyrrolidinemethanamine-N(sup alpha),N(sup 1))-,(SP-4-3-(1R-cis))-, monohydrate, Platinum, (1,1-cyclobutanedicarboxylato(2-))(2-pyrrolidinemethanamine-Nalpha,N1)-, (SP-4-3-(1R-cis))-, Platinum, (1,1-cyclobutanedicarboxylato(2-))(2-pyrrolidinemethanamine-nalpha,N1)-, (SP-4-3-(R))-

Molecular Formula: C11H18N2O4PtMolecular Weight: 437.349620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XXUHLUDUCZQMDI-UTYJZAQGSA-L

• MICAFUNGIN SODIUM
Synonyms: Funguard, Micafungin sodium, Mycamine, Funguard (TN), Mycamine (TN), MCFG, Micafungin sodium (JAN/USAN), FK463, CID11954240, C15819, D02465

Molecular Formula: C56H70N9NaO23SMolecular Weight: 1292.256270 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 24

InChIKey: DDVWCESGUGLBJI-OZMKZJPFSA-M

• Miriplatin hydrate
IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine;platinum(2+);tetradecanoate;hydrate | CAS Registry Number: 250159-48-9
Synonyms: Miripla (TN), Miriplatin monohydrate, Miriplatin hydrate (JAN), UNII-75H6U03J2H, D06294

Molecular Formula: C34H70N2O5PtMolecular Weight: 782.014000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: LWDBMUAJGMXQAY-GSEQGPDBSA-L

• Mitomycin
Synonyms: mitomycin C, Ametycine, Mutamycin, Ametycin, Mitomycin-C, Mitomycinum, Mitozytrex, Mytozytrex, Mitamycin, Mytomycin, Mitocin-C, Mitomycinum C, Mitomycins, Muamycin, Mitocin C, Mito-C, Mitomycin (TN), Muamycin (TN), Mit-C, Mitomycyna C [Polish]

Molecular Formula: C15H18N4O5Molecular Weight: 334.327220 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: NWIBSHFKIJFRCO-WUDYKRTCSA-N

• MITRAGYNINE HCL(P)
IUPAC Name: methyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate | CAS Registry Number: 4098-40-2
Synonyms: MITRAGYNINE, Skf 12711, CHEBI:192231, CID3034396, SK&F 12711, C09226, 16,17-Didehydro-9,17-dimethoxy-17,18-seco-20-alpha-yohimban-16-carboxylic acid methyl ester, 2-(3-Ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-3-methoxy-acrylic acid methyl ester

Molecular Formula: C23H30N2O4Molecular Weight: 398.495300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LELBFTMXCIIKKX-QVRQZEMUSA-N

• Mizoribine
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide | CAS Registry Number: 50924-49-7
Synonyms: mizoribine, Bredinin, Bredinine, Bredinin (TN), Mizoribine [INN:JAN], Mizoribinum [INN-Latin], Mizoribina [INN-Spanish], Mizoribine (JAN/INN), Spectrum2_001559, Spectrum3_000739, Spectrum4_000220, Spectrum5_001671, mizoribine 5'-monophosphate, HE-69, Lopac0_000745, BSPBio_002298, KBioGR_000859, MLS000028813, MLS001076272, DivK1c_000948

Molecular Formula: C9H13N3O6Molecular Weight: 259.216020 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: HZQDCMWJEBCWBR-UUOKFMHZSA-N

• Monocrotaline
Synonyms: monocrotaline, Monocrotalin, Crotaline, Testosterone oenanthate, Prestwick_338, Pyrrolizidine alkaloid, Spectrum_001224, Prestwick0_000603, Prestwick1_000603, Prestwick2_000603, Prestwick3_000603, Spectrum2_000906, Spectrum3_000947, Spectrum4_001057, Spectrum5_001233, CCRIS 416, BSPBio_000506, KBioGR_001354, KBioSS_001704, HSDB 3513

Molecular Formula: C16H23NO6Molecular Weight: 325.356920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N

• Monotropein
IUPAC Name: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid | CAS Registry Number: 5945-50-6
Synonyms: Monotropeine, Monotropein (8CI), CID73466, NSC 88926, LMPR0102070012, NSC 291303, C09788, Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7beta,7aalpha))- (9CI)

Molecular Formula: C16H22O11Molecular Weight: 390.339280 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 11

InChIKey: HPWWQPXTUDMRBI-NJPMDSMTSA-N

• Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
IUPAC Name: (3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylate | CAS Registry Number: 212650-43-6
Synonyms: ZINC01433128, CID6987997

Molecular Formula: C10H16NO5-Molecular Weight: 230.237740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KVXXEKIGMOEPSA-ZETCQYMHSA-M

• Motesanib
IUPAC Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide | CAS Registry Number: 453562-69-1
Synonyms: AMG 706, CHEBI:51098, AMG-706, D06678, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide, N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide

Molecular Formula: C22H23N5OMolecular Weight: 373.450920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: RAHBGWKEPAQNFF-UHFFFAOYSA-N

• N-(2-Chloroethyl)Azetidine Hydrochloride
IUPAC Name: 1-(2-chloroethyl)azetidine;hydrochloride | CAS Registry Number: 1171172-85-2
Synonyms: N-(2-Chloroethyl)azetidine hydrochloride, 1-(2-chloroethyl)azetidine hydrochloride, CTK4B0155, MolPort-001-756-384, OR0988, AKOS015924562, 1-(2-Chloroethyl)azetane hydrochloride, AG-L-60387, RP21987, AK-93236, KB-81830, 1-(2-Chloroethyl)azacyclobutane hydrochloride, B-1928

Molecular Formula: C5H11Cl2NMolecular Weight: 156.053540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PNJALMPAYLYJFL-UHFFFAOYSA-N

• N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide | CAS Registry Number: 918504-65-1
Synonyms: Vemurafenib, Zelboraf, PLX-4032, RG7204, PLX4032, PLX 4032, 1029872-54-5, UNII-207SMY3FQT, RO5185426, CHEBI:63637, RG-7204, RO-5185426, N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-PropanesulfonaMide, PLX4032, RG7204, RO5185426, 1029872-54-5, 1-PROPANESULFONAMIDE, N-[3-[[5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]-2,4-DIFLUOROPHENYL]-, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, RG7204, R7204, RO5185426, PLX4032, PLX-4032, Zelboraf (TN), N-(3-((5-(4-Chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4- difluorophenyl)propane-1-sulfonamide

Molecular Formula: C23H18ClF2N3O3SMolecular Weight: 489.922126 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N

• N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide (CAS: 213269-23-8)
• N-(3-azetidinylmethyl)Carbamic acid phenylmethyl ester
IUPAC Name: benzyl N-(azetidin-3-ylmethyl)carbamate | CAS Registry Number: 876149-41-6
Synonyms: N-(3-Azetidinylmethyl)carbamic acid phenylmethyl ester, benzyl azetidin-3-ylmethylcarbamate, benzyl N-(azetidin-3-ylmethyl)carbamate, 3-(Aminomethyl)azetidine, 3-CBZ protected, SureCN632994, CTK8B4614, MolPort-016-581-817, 3-(CBZ-AMINOmethyl)AZETIDINE, ANW-45670, OR2144, AKOS015998844, PB23509, FT-0656286, W8993, B-1686, AZETIDIN-3-YLMETHYL-CARBAMIC ACID BENZYL ESTER, CARBAMIC ACID, (3-AZETIDINYLMETHYL)-, BENZYL ESTER, CARBAMIC ACID, N-(3-AZETIDINYLMETHYL)-, PHENYLMETHYL ESTER

Molecular Formula: C12H16N2O2Molecular Weight: 220.267640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RNPDRAJKEJXSMC-UHFFFAOYSA-N

• N-(phenylmethyl)-2-(4-pyrimidinylamino)-4-Thiazolecarboxamide
IUPAC Name: N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide | CAS Registry Number: 1226056-71-8
Synonyms: Thiazovivin, N-benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide, S1459_Selleck, PubChem24336, cc-22, CTK4B3173, MolPort-009-199-421, Thiazovivin|1226056-71-8, AKOS016010502, AG-I-03472, CS-0468, QC-4348, RL01032, NCGC00187983-01, AK117147, HY-13257, KB-57682, Thiazovivin-Supplied by Selleck Chemicals, FT-0675156, X7616

Molecular Formula: C15H13N5OSMolecular Weight: 311.361620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: DOBKQCZBPPCLEG-UHFFFAOYSA-N

• N-[(4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]Glycine
IUPAC Name: 2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid | CAS Registry Number: 808118-40-3
Synonyms: FG-4592, CHEMBL2338329, N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine, Glycine, N-[(4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]-, n-((4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl)glycine, (((4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl)amino)acetic acid, [[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]amino]acetic Acid, PubChem24327, SureCN523705, UNII-X3O30D9YMX, cc-211, AGN-PC-005EN5, CTK2I7260, MolPort-021-804-955, BCPP000230, FG-4592,ASP1517, BCP9000684, CS-1094, FG 4592, QC-7436

Molecular Formula: C19H16N2O5Molecular Weight: 352.340740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: YOZBGTLTNGAVFU-UHFFFAOYSA-N

• N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 439081-18-2
Synonyms: Tovok, BIBW-2992, BIBW 2992, CID10184653, CID 10184653, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, 915958-11-1

Molecular Formula: C24H25ClFN5O3Molecular Weight: 485.938403 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-N

• N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-Propenamide
IUPAC Name: N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide | CAS Registry Number: 897383-62-9
Synonyms: AST-1306, AST 1306, N-{4-[3-chloro-4-(3-fluoro-benzyloxy)phenylamino]quinazolin-6-yl}-acrylamide, SureCN233985, cc-669, CHEMBL1947204, AST1306, QCR-149, BCP9000327, CS-0983, RL05640, NCGC00346478-02, HY-15375, Y0355, 147311-EP2269994A1, 147311-EP2292234A1, AST-1306|897383-62-9|AST 1306, 897383-62-9 , AST1306 , AST 1306, N-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)acrylamide, n-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-2-propenamide

Molecular Formula: C24H18ClFN4O2Molecular Weight: 448.876723 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: MVZGYPSXNDCANY-UHFFFAOYSA-N

• N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide
IUPAC Name: N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide | CAS Registry Number: 331771-20-1
Synonyms: ZM-447439, ZM447439, N-[4-[[6-METHOXY-7-[3-(4-MORPHOLINYL)PROPOXY]-4-QUINAZOLINYL]AMINO]PHENYL]BENZAMIDE, ZM 447439, TCMDC-125873, AG-F-11633, ZM 447439, ZM447439, 331771-20-1, ZM447439, ZM-447439, S1103_Selleck, Kinome_3319, NCGC00159574-01, PubChem24158, cc-90, SureCN597105, UNII-RSN3P9776R, CHEMBL202721, CTK4H0102, BCPP000002, HMS3269E21, ABP000121

Molecular Formula: C29H31N5O4Molecular Weight: 513.587540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: OGNYUTNQZVRGMN-UHFFFAOYSA-N

• N-1-Boc-2-piperazinecarboxylic acid methyl ester
IUPAC Name: 1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate | CAS Registry Number: 129799-15-1
Synonyms: 1-N-Boc-2-piperazinecarboxylic acid methyl ester, n-boc-piperazine-2-carboxylic acid methyl ester, 1-tert-butyl 2-methyl piperazine-1,2-dicarboxylate, Methyl 1-Boc-piperazine-2-carboxylate, 1-tert-Butoxycarbonyl-2-carbomethoxypiperazine, 1-n-boc-piperazine-2-carboxylic acid methyl ester, 1-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER, 1-N-Boc-Piperazine-2-carboxylicacidmethylester, piperazine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester, AC1MBUFV, PubChem15875, ACMC-20dm6n, SureCN654591, Tert-butyl Methyl Piperazine-1,2-dicarboxylate, KSC496G4P, CTK3J6347, MolPort-000-151-709, ACT02172, AKOS005258545, AC-2376

Molecular Formula: C11H20N2O4Molecular Weight: 244.287500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BRXKHIPPSTYCKO-UHFFFAOYSA-N

• N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER
IUPAC Name: 4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate | CAS Registry Number: 129799-14-0
Synonyms: 4-benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate, SureCN2820733, MolPort-003-982-119, AKOS015923288, AK-42132, KB-144398, FT-0083978, FT-0660120

Molecular Formula: C19H26N2O6Molecular Weight: 378.419540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JHEYLNAAOWKKBQ-UHFFFAOYSA-N

• N-CARBOBENZYLOXY-ILE-GLU(O-TERT-BUTYL)-ALA-LEUCINAL
IUPAC Name: tert-butyl (4S)-5-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate | CAS Registry Number: 158442-41-2
Synonyms: PSI

Molecular Formula: C32H50N4O8Molecular Weight: 618.761400 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: TYFTWYMXUWCOOB-XYXXBXNNSA-N

• N-Cbz-azetidine-3-carboxylic acid
IUPAC Name: 1-phenylmethoxycarbonylazetidine-3-carboxylic acid | CAS Registry Number: 97628-92-7
Synonyms: 1-Cbz-azetidine-3-carboxylic acid, CBZ-AZETIDINE-3-CARBOXYLIC ACID, 1-(benzyloxycarbonyl)azetidine-3-carboxylic acid, N-Cbz-Azetidine-3-carboxylic acid, AG-H-97684, 1-(BENZYLOXYCARBONYL) AZETIDINE-3-CARBOXYLIC ACID, 1-[(benzyloxy)carbonyl]azetidine-3-carboxylic acid, 1-((Benzyloxy)carbonyl)azetidine-3-carboxylic acid, ACMC-209s8r, SureCN206638, KSC679I3P, CTK5H9437, MolPort-002-053-530, HT798, ANW-40873, SBB067853, AKOS015836903, PB14629, RP28168, AK-44449

Molecular Formula: C12H13NO4Molecular Weight: 235.235920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PVJPBKZGIUAESY-UHFFFAOYSA-N

• N-HYDROXY-3-[3-[(PHENYLAMINO)SULFONYL]PHENYL]-2-PROPENAMIDE
IUPAC Name: (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide | CAS Registry Number: 414864-00-9
Synonyms: Belinostat, nchembio.313-comp10, Belinostat (USAN/INN), PXD101, PXD-101, PXD 101, CHEBI:535188, NSC726630, ZINC03818726, CID6918638, PX 105684, PX-105684, EC-000.2286, D08870, N-Hydroxy-3-(3-phenylsulphamoylphenyl)acrylamide, C487081, N-hydroxy-3-(3-phenylsulfamoyl-phenyl)-acrylamide, N-hydroxy-3-(3-(phenylsulfamoyl)phenyl)prop-2-enamide, 2-Propenamide, N-hydroxy-3-(3-((phenylamino)sulfonyl)phenyl)-

Molecular Formula: C15H14N2O4SMolecular Weight: 318.347660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: NCNRHFGMJRPRSK-MDZDMXLPSA-N

• N-methyl-3-Azetidinamine
IUPAC Name: N-methylazetidin-3-amine | CAS Registry Number: 247069-31-4
Synonyms: N-methylazetidin-3-amine, AG-E-74074, N-methyl-3-azetidinamine, SureCN539232, 3-Azetidinamine, N-methyl-, CTK0I7226, ANW-64550, AKOS006347644, RP08162, AK103713, KB-58618, AM20090279, FT-0652737, A817448, I14-5147

Molecular Formula: C4H10N2Molecular Weight: 86.135600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NQPTWMKTGPWPMX-UHFFFAOYSA-N

• nelarabine
IUPAC Name: (3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 121032-29-9
Synonyms: Nelarabine, Nelzarabine, Arranon, Nelarabine [USAN], Nelzarabine [USAN], GW 506U78, C11H15N5O5, 506U, 506U78, LS-172477, 9beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 9H-Purin-2-amine, 9beta-D-arabinofuranosyl-6-methyl-, 9-beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine, U78

Molecular Formula: C11H15N5O5Molecular Weight: 297.267300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: IXOXBSCIXZEQEQ-KBNQYOMWSA-N

• Nigericin sodium salt
IUPAC Name: sodium 2-[(3S,6R)-6-[[(5R,7R,9R,10R)-2-[5-[(3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl]-3-methyloxan-2-yl]propanoate | CAS Registry Number: 28643-80-3
Synonyms: nigericin, Nigericin sodium, Sodium nigericin, NIGERICIN, MONOSODIUM SALT, CID34297, NSC 292567

Molecular Formula: C40H67NaO11Molecular Weight: 746.943150 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: MOYOTUKECQMGHE-KKCUGXASSA-M

• Nolatrexed Di Hydrochloride
IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one dihydrochloride | CAS Registry Number: 152946-68-4
Synonyms: Thymitaq, Nolatrexed, Nolatrexed dihydrochloride, AG 337, AG-337, LS-186985, 2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride, 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride, 3,4-Dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)quinazoline dihydrochloride

Molecular Formula: C14H14Cl2N4OSMolecular Weight: 357.258160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: PJKVJJYMWOCLIJ-UHFFFAOYSA-N

• Nuciferine
Synonyms: Nuciferin, l-Nuciferine, Sanjoinine E, nuciferine,HCl, (-)-Nucipherine, l-5,6-Dimethoxyaporphine, (R)-1,2-Dimethoxyaporphine, 1,2-Dimethoxy-6abeta-aporphine, CHEBI:562581, AIDS189198, AIDS-189198, CID10146, 6a-beta-APORPHINE, 1,2-DIMETHOXY-, LS-21471, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)-, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)- (9CI)

Molecular Formula: C19H21NO2Molecular Weight: 295.375540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ORJVQPIHKOARKV-OAHLLOKOSA-N

• NVP-BGJ398
IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea | CAS Registry Number: 872511-34-7
Synonyms: BGJ398, BGJ 398, BGJ-398, 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)-1-methylurea, 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea, 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea, NVP BGJ398, UNII-A4055ME1VK, cc-248, QCR-48, CHEBI:63451, BGJ398, NVP-BGJ398, BGJ398 (NVP-BGJ398), BGJ398 - NVP-BGJ398, FD5035, RW4152, BCP9000399, CS-0586, RL05423, NCGC00274030-01

Molecular Formula: C26H31Cl2N7O3Molecular Weight: 560.475440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-N

• Ophiopogon
Synonyms: Ophiopogonin D, CID3080802, LS-193522, 11054-29-8, 11088-12-3, beta-D-Galactopyranoside, (1beta,3beta,25R)-3-hydroxyspirost-5-en-1-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-6-deoxy-

Molecular Formula: C44H70O16Molecular Weight: 855.017000 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: HCPWJYIKDZWRLK-OFTVQJMASA-N

• Ophiopogonin D
Synonyms: deacetylophiopogonin c pound notojv-v

Molecular Formula: C44H70O16Molecular Weight: 855.028 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 16

InChIKey: FHKHGNFKBPFJCB-BVTJHEIRSA-N

• Orientin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 28608-75-5
Synonyms: Lutexin, Orientin (Flavone), Luteolin 8-glucoside, Luteolin 8-C-glucoside, 8-beta-D-glucosylluteolin, CHEBI:7781, AIDS026706, AIDS-026706, C21H20O11, CID5281675, LS-39605, C10114, 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-, 8-C-beta-glucopyranosyl-3',4',5,7-tetrahydroxyflav-2-en-3-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-

Molecular Formula: C21H20O11Molecular Weight: 448.376900 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: PLAPMLGJVGLZOV-VPRICQMDSA-N

• OSI-906
IUPAC Name: 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol | CAS Registry Number: 867160-71-2
Synonyms: Linsitinib, Kinome_3532, OSI-906AA, OSI906, OSI-906, 867160-71-2, 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol, cis-3-(8-amino-1-(2-phenyl-7-quinolinyl)imidazo(1,5-a)pyrazin-3-yl)-1-methylcyclobutanol, cis-3-[8-Amino-1-(2-phenyl-7-quinolinyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutanol, Linsitinib [USAN], Linsitinib (USAN/INN), SureCN400369, SureCN400734, SureCN400735, AGN-PC-00D7QU, UNII-15A52GPT8T, SureCN10255925, cc-217, CHEMBL1091644, OSI 906, QCR-128

Molecular Formula: C26H23N5OMolecular Weight: 421.493720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PKCDDUHJAFVJJB-UHFFFAOYSA-N

• Oxaliplatin
IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine; oxalate; platinum(2+) | CAS Registry Number: 61825-94-3
Synonyms: oxaliplatin, oxalate, Oxalatoplatin, Oxalatoplatinum, Eloxatin, Eloxatin (TN), platinum(+2) cation, Oxaliplatinum [Latin], Oxaloplatine [French], Oxaliplatino [Spanish], Oxaloplatino [Spanish], Oxaliplatin (JAN/USAN/INN), Oxaliplatin [USAN:INN:BAN], (1R,2R)-cyclohexane-1,2-diamine, DB00526, D01790

Molecular Formula: C8H14N2O4PtMolecular Weight: 397.285760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

• Paclitaxel
Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula: C47H51NO14Molecular Weight: 853.906140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Paricalcitol
IUPAC Name: (1R,3R)-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]cyclohexane-1,3-diol | CAS Registry Number: 131918-61-1
Synonyms: Zemplar, Paracalcin, Paricalcitol [USAN], Compound 49510, Zemplar (TN), Compound-49510, Paricalcitol (USAN/INN), Abbott brand of paricalcitol, 19-Nor-1alpha,25-dihydroxyvitamin D2, CHEBI:7931, 19-Nor-1,25-(OH)2D2, HSDB 7360, ABT-358, C27H44O3, Ab 122358, DB00910, 19-Nor-1-alpha,25-dihydroxyvitamin D2, LS-172812, C08127, D00930

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: BPKAHTKRCLCHEA-UBFJEZKGSA-N

• Parthenolide
Synonyms: parthenolide, (-)-Parthenolide, Bio-0620, MEGxp0_000050, ACon1_001961, CHEBI:443035, AIDS007764, AIDS-007764, NSC157035, CID6473881, NSC-157035, (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, (1aR,7aS,10aS,10bS,Z)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8-hexahydro-11-oxa-bicyclo[8.1.0]undeca-1(10),4-dieno[9,8-b]furan-9(1aH,10aH,10bH)-one, Germacra-1(10),11(13)-dien-12-oic acid, 4,5.alpha.-epoxy-6.beta.-hydroxy-, gamma.-lactone, Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-, PTL

Molecular Formula: C15H20O3Molecular Weight: 248.317500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KTEXNACQROZXEV-SLXBATTESA-N

• Pazopanib
IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide | CAS Registry Number: 444731-52-6
Synonyms: GW786034, UNII-7RN5DR86CK, CHEBI:71219, NCGC00188865-01, GW 78603, Pazopanib [INN], DSSTox_CID_28659, DSSTox_RID_82929, DSSTox_GSID_48733, 790713-33-6, Kinome_3790, CHEMBL477772, 5-(4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-ylamino)-2-methylbenzenesulfonamide, 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide, Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-, CAS-444731-52-6, AKOS005145819, 5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide, ST51053493, pazopanibum

Molecular Formula: C21H23N7O2SMolecular Weight: 437.518020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-N

• PCI-32765
IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | CAS Registry Number: 936563-96-1
Synonyms: Ibrutinib, PCI 32765, CHEBI:76612, PCI32765, UNII-1X70OSD4VX, ibrutinibum, CRA-032765, Imbruvica (TN), Ibrutinib (USAN), IMBRUVICA, SureCN201859, 1X70OSD4VX, PCI-32765 (Ibrutinib), CHEMBL1873475, AMX10219, EX-5960, QC-4573, NCGC00187912-01, NCGC00187912-02, NCGC00187912-03

Molecular Formula: C25H24N6O2Molecular Weight: 440.497060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N


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