Product OPENEYE NAME: 3-(2-chlorophenyl)-1-[3-[(1R,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CAS Name: 3-(2-chlorophenyl)-1-[3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenylurea
IUPAC NAME: 3-(2-chlorophenyl)-1-[3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenylurea
SYSTEMATIC NAME: 3-(2-chlorophenyl)-1-[3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
MOLECULAR FORMULA: C29H37ClN6O
MOLECULAR WEIGHT: 521.09668
SMILES: CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CCCN(C4=CC=CC=C4)C(=O)NC5=CC=CC=C5Cl)C(C)C
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Product OPENEYE NAME: N-cyano-4-[2-(3,4-dimethoxyphenyl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: N-cyano-4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-4-[2-(3,4-dimethoxyphenyl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-4-[2-(3,4-dimethoxyphenyl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C29H31N5O3
MOLECULAR WEIGHT: 497.58814
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC(=C(C=C4)OC)OC
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Product OPENEYE NAME: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxo-ethyl]-2-oxo-4-quinolyl]propanoic acid
CAS Name: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-2-oxo-4-quinolinyl]propanoic acid
IUPAC NAME: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-2-oxoquinolin-4-yl]propanoic acid
SYSTEMATIC NAME: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-quinolin-4-yl]propanoic acid
MOLECULAR FORMULA: C28H25N5O4
MOLECULAR WEIGHT: 495.5292
SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2CC(=O)NCC3=CC=C(C=C3)NC4=NC5=CC=CC=C5N4)CCC(=O)O
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Product OPENEYE NAME: (2R)-N-[(1R)-1-[3-chloro-5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-2-pyridyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamide
CAS Name: (2R)-N-[(1R)-1-[3-chloro-5-[5-chloro-3-fluoro-2-(2-methyl-5-tetrazolyl)phenyl]-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
IUPAC NAME: (2R)-N-[(1R)-1-[3-chloro-5-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]pyridin-2-yl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SYSTEMATIC NAME: (2R)-N-[(1R)-1-[3-chloranyl-5-[5-chloranyl-3-fluoranyl-2-(2-methyl-1,2,3,4-tetrazol-5-yl)phenyl]pyridin-2-yl]ethyl]-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide
MOLECULAR FORMULA: C19H16Cl2F4N6O2
MOLECULAR WEIGHT: 507.268953
SMILES: C[C@H](C1=C(C=C(C=N1)C2=CC(=CC(=C2C3=NN(N=N3)C)F)Cl)Cl)NC(=O)[C@](C)(C(F)(F)F)O
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Product OPENEYE NAME: 2-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxo-ethyl]-2-oxo-4-quinolyl]acetic acid
CAS Name: 2-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-2-oxo-4-quinolinyl]acetic acid
IUPAC NAME: 2-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxoethyl]-2-oxoquinolin-4-yl]acetic acid
SYSTEMATIC NAME: 2-[1-[2-[[4-(1H-benzimidazol-2-ylamino)phenyl]methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-quinolin-4-yl]ethanoic acid
MOLECULAR FORMULA: C27H23N5O4
MOLECULAR WEIGHT: 481.50262
SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2CC(=O)NCC3=CC=C(C=C3)NC4=NC5=CC=CC=C5N4)CC(=O)O
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Product OPENEYE NAME: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)cyclohexyl]methylamino]-2-oxo-ethyl]-2-oxo-4-quinolyl]propanoic acid
CAS Name: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)cyclohexyl]methylamino]-2-oxoethyl]-2-oxo-4-quinolinyl]propanoic acid
IUPAC NAME: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)cyclohexyl]methylamino]-2-oxoethyl]-2-oxoquinolin-4-yl]propanoic acid
SYSTEMATIC NAME: 3-[1-[2-[[4-(1H-benzimidazol-2-ylamino)cyclohexyl]methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-quinolin-4-yl]propanoic acid
MOLECULAR FORMULA: C28H31N5O4
MOLECULAR WEIGHT: 501.57684
SMILES: C1CC(CCC1CNC(=O)CN2C3=CC=CC=C3C(=CC2=O)CCC(=O)O)NC4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 5-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-2-morpholino-benzoic acid
CAS Name: 5-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-2-(4-morpholinyl)benzoic acid
IUPAC NAME: 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-ylbenzoic acid
SYSTEMATIC NAME: 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-morpholin-4-yl-benzoic acid
MOLECULAR FORMULA: C18H18N2O5
MOLECULAR WEIGHT: 342.34592
SMILES: C1COCCN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CO3)C(=O)O
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Product OPENEYE NAME: [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-methyl-phosphoryl] dihydrogen phosphate
CAS Name: [2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-methylphosphoryl] dihydrogen phosphate
IUPAC NAME: [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-methylphosphoryl] dihydrogen phosphate
SYSTEMATIC NAME: [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-methyl-phosphoryl] dihydrogen phosphate
MOLECULAR FORMULA: C13H21N4O6P2S+
MOLECULAR WEIGHT: 423.341562
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(C)OP(=O)(O)O
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Product OPENEYE NAME: N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-(2-hydroxyacetyl)-3-piperidyl]-5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carboxamide
CAS Name: N-[(3R,4S)-4-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-1-(2-hydroxy-1-oxoethyl)-3-piperidinyl]-5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carboxamide
IUPAC NAME: N-[(3R,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-1-(2-hydroxyacetyl)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SYSTEMATIC NAME: N-[(3R,4S)-4-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-1-(2-oxidanylethanoyl)piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
MOLECULAR FORMULA: C24H27ClN6O4S
MOLECULAR WEIGHT: 531.02698
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3CN(CC[C@@H]3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl)C(=O)CO
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Product OPENEYE NAME: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
IUPAC NAME: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SYSTEMATIC NAME: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-7-oxidanylidene-4-[[(2R)-1-oxidanylpropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
MOLECULAR FORMULA: C18H15F2N5O2S
MOLECULAR WEIGHT: 403.405806
SMILES: C[C@H](CO)NC1=NC(=NC2=C1C=C(C(=O)N2)C#N)SCC3=C(C(=CC=C3)F)F
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Product OPENEYE NAME: ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylate
CAS Name: 3-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-4-[[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonylamino]piperidine-1-carboxylate
MOLECULAR FORMULA: C25H29ClN6O4S
MOLECULAR WEIGHT: 545.05356
SMILES: CCOC(=O)N1CCC(C(C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)NC(=O)C4=NC5=C(S4)CN(CC5)C
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Product OPENEYE NAME: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC NAME: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-[[(2R)-1-oxidanylpropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C17H16F2N4O2S
MOLECULAR WEIGHT: 378.396346
SMILES: C[C@H](CO)NC1=NC(=NC2=C1C=CC(=O)N2)SCC3=C(C(=CC=C3)F)F
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Product OPENEYE NAME: (2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylhexanoyl]amino]propanoic acid
CAS Name: (2S)-2-[[(2S)-2-mercapto-1-oxohexyl]amino]-3-(4-phenylphenyl)propanoic acid
IUPAC NAME: (2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylhexanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-3-(4-phenylphenyl)-2-[[(2S)-2-sulfanylhexanoyl]amino]propanoic acid
MOLECULAR FORMULA: C21H25NO3S
MOLECULAR WEIGHT: 371.4931
SMILES: CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S
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Product OPENEYE NAME: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-8H-pteridin-7-one
CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-8H-pteridin-7-one
IUPAC NAME: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-8H-pteridin-7-one
SYSTEMATIC NAME: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-[[(2R)-1-oxidanylpropan-2-yl]amino]-8H-pteridin-7-one
MOLECULAR FORMULA: C16H15F2N5O2S
MOLECULAR WEIGHT: 379.384406
SMILES: C[C@H](CO)NC1=NC(=NC2=C1N=CC(=O)N2)SCC3=C(C(=CC=C3)F)F
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