| 9WW | Name: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide | Formula: | C34 H27 Cl F4 N8 O4 S | SMILES: | CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F | InChi: | InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1 | Definition date: | 2021-10-29 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide |
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| OZU | Name: | ~{N}-pyridin-3-ylpropanamide | Formula: | C8 H10 N2 O | SMILES: | CCC(=O)Nc1cccnc1 | InChi: | InChI=1S/C8H10N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11) | Definition date: | 2022-09-28 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | ~{N}-pyridin-3-ylpropanamide |
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| PJ0 | Name: | 3-methyl-1,5-naphthyridin-2-amine | Formula: | C9 H9 N3 | SMILES: | Cc1cc2ncccc2nc1N | InChi: | InChI=1S/C9H9N3/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3,(H2,10,12) | Definition date: | 2022-05-26 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 3-methyl-1,5-naphthyridin-2-amine |
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| PUI | Name: | 4-methyl-1,5-naphthyridin-2-amine | Formula: | C9 H9 N3 | SMILES: | Cc1cc(N)nc2cccnc12 | InChi: | InChI=1S/C9H9N3/c1-6-5-8(10)12-7-3-2-4-11-9(6)7/h2-5H,1H3,(H2,10,12) | Definition date: | 2022-05-29 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 4-methyl-1,5-naphthyridin-2-amine |
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| PWL | Name: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine | Formula: | C7 H6 Br N3 | SMILES: | Brc1cc2[NH]ccc2nc1N | InChi: | InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11) | Definition date: | 2022-05-31 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine |
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| PWX | Name: | 7-chloro-1-methyl-1H-benzimidazol-2-amine | Formula: | C8 H8 Cl N3 | SMILES: | Clc1cccc2nc(N)n(C)c12 | InChi: | InChI=1S/C8H8ClN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11) | Definition date: | 2022-05-31 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 7-chloro-1-methyl-1H-benzimidazol-2-amine |
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| CW8 | Name: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile | Formula: | C13 H20 F N3 O | SMILES: | FC1CC(C#N)N(C1)C(=O)C(N)C1CCCCC1 | InChi: | InChI=1S/C13H20FN3O/c14-10-6-11(7-15)17(8-10)13(18)12(16)9-4-2-1-3-5-9/h9-12H,1-6,8,16H2/t10-,11-,12-/m0/s1 | Definition date: | 2021-11-23 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile |
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| D06 | Name: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one | Formula: | C20 H29 N3 O | SMILES: | O=C(N1Cc2ccccc2C1)C(N)C1CCC(CC1)N1CCCC1 | InChi: | InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15-,18-,19-/m0/s1 | Definition date: | 2021-11-23 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one |
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| 8ZI | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C28 H47 N5 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C28H47N5O6/c1-26(2,3)12-17(34)32-21(27(4,5)6)25(39)33-13-15-18(28(15,7)8)19(33)24(38)31-16(20(35)22(29)36)11-14-9-10-30-23(14)37/h14-16,18-21,35H,9-13H2,1-8H3,(H2,29,36)(H,30,37)(H,31,38)(H,32,34)/t14-,15-,16-,18-,19-,20+,21+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| 90H | Name: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C25 H38 F3 N5 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C25H38F3N5O6/c1-23(2,3)17(32-22(39)25(26,27)28)21(38)33-10-12-14(24(12,4)5)15(33)19(36)31-13(16(34)20(37)29-6)9-11-7-8-30-18(11)35/h11-17,34H,7-10H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)(H,32,39)/t11-,12-,13-,14-,15-,16+,17+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| 90U | Name: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Formula: | C24 H32 N4 O6 | SMILES: | NC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C | InChi: | InChI=1S/C24H32N4O6/c1-24(2)15-11-28(23(33)34-12-13-6-4-3-5-7-13)18(17(15)24)22(32)27-16(19(29)20(25)30)10-14-8-9-26-21(14)31/h3-7,14-19,29H,8-12H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-,18-,19+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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| 91I | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C25 H34 N4 O5 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CCc1ccccc1 | InChi: | InChI=1S/C25H34N4O5/c1-25(2)16-13-29(18(30)9-8-14-6-4-3-5-7-14)20(19(16)25)24(34)28-17(21(31)22(26)32)12-15-10-11-27-23(15)33/h3-7,15-17,19-21,31H,8-13H2,1-2H3,(H2,26,32)(H,27,33)(H,28,34)/t15-,16-,17-,19-,20-,21+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| 91Z | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C24 H30 F3 N5 O5 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CNc1c(F)cc(F)cc1F | InChi: | InChI=1S/C24H30F3N5O5/c1-24(2)12-9-32(16(33)8-30-18-13(26)6-11(25)7-14(18)27)19(17(12)24)23(37)31-15(20(34)21(28)35)5-10-3-4-29-22(10)36/h6-7,10,12,15,17,19-20,30,34H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,36)(H,31,37)/t10-,12-,15-,17-,19-,20+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| 8AI | Name: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine | Formula: | C18 H19 F N2 | SMILES: | Fc1ccc(CN2C3=C(CCC3)C(=N)C4=C2CCC4)cc1 | InChi: | InChI=1S/C18H19FN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2 | Definition date: | 2021-12-01 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine |
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| 8AT | Name: | 1,2-dimethylquinolin-4-imine | Formula: | C11 H12 N2 | SMILES: | CN1C(=CC(=N)c2ccccc12)C | InChi: | InChI=1S/C11H12N2/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7,12H,1-2H3/b12-10+ | Definition date: | 2021-12-01 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 1,2-dimethylquinolin-4-imine |
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| 8KF | Name: | 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid | Formula: | C20 H13 F3 N2 O2 | SMILES: | FC(F)(F)c1ccc(Nc2cc3c4ccccc4[NH]c3cc2)c(c1)C(=O)O | InChi: | InChI=1S/C20H13F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-10,24-25H,(H,26,27) | Definition date: | 2021-09-22 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid |
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| 8KQ | Name: | 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid | Formula: | C20 H17 F3 N2 O2 | SMILES: | FC(F)(F)c1ccc(NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O | InChi: | InChI=1S/C20H17F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-5,7,9,12,24-25H,6,8,10H2,(H,26,27)/t12-/m1/s1 | Definition date: | 2021-09-22 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid |
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| 99W | Name: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide | Formula: | C21 H28 F3 N5 O3 | SMILES: | Fc1cc(F)cc(F)c1NCC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N | InChi: | InChI=1S/C21H28F3N5O3/c1-11(2)5-17(21(32)28-14(9-25)6-12-3-4-26-20(12)31)29-18(30)10-27-19-15(23)7-13(22)8-16(19)24/h7-9,11-12,14,17,25,27H,3-6,10H2,1-2H3,(H,26,31)(H,28,32)(H,29,30)/b25-9-/t12-,14-,17-/m0/s1 | Synonyms: | N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-(2,4,6-trifluorophenyl)glycyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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| 9A9 | Name: | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide | Formula: | C14 H21 N3 O3 | SMILES: | O=C(NCCN(C)CCCC(=O)NO)c1ccccc1 | InChi: | InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18) | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide |
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| 9BI | Name: | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide | Formula: | C14 H21 N3 O3 | SMILES: | O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO | InChi: | InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19) | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide |
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| 9DL | Name: | 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide | Formula: | C14 H21 N3 O3 | SMILES: | O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO | InChi: | InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18) | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide |
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| E4C | Name: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one | Formula: | C22 H30 N6 O | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2N=C(CC(=O)n2n1)CN1CCCCC1 | InChi: | InChI=1S/C22H30N6O/c1-22(2,3)17-9-7-16(8-10-17)14-23-20-25-21-24-18(13-19(29)28(21)26-20)15-27-11-5-4-6-12-27/h7-10H,4-6,11-15H2,1-3H3,(H,23,26) | Definition date: | 2021-12-02 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one |
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| E5B | Name: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C21 H28 N6 O2 | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2NC(CN3CCOCC3)=CC(=O)n2n1 | InChi: | InChI=1S/C21H28N6O2/c1-21(2,3)16-6-4-15(5-7-16)13-22-19-24-20-23-17(12-18(28)27(20)25-19)14-26-8-10-29-11-9-26/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,23,24,25) | Definition date: | 2021-12-02 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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| E66 | Name: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine | Formula: | C23 H33 N7 O | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1 | InChi: | InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27) | Definition date: | 2021-12-02 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine |
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| AU0 | Name: | Caylin-1 | Formula: | C30 H28 Cl4 N4 O4 | SMILES: | COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)c(Cl)c4)c5ccc(Cl)c(Cl)c5 | InChi: | InChI=1S/C30H28Cl4N4O4/c1-16(2)42-25-14-19(41-3)6-7-20(25)29-36-27(17-4-8-21(31)23(33)12-17)28(18-5-9-22(32)24(34)13-18)38(29)30(40)37-11-10-35-26(39)15-37/h4-9,12-14,16,27-28H,10-11,15H2,1-3H3,(H,35,39)/t27-,28+/m0/s1 | Synonyms: | 4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one | Definition date: | 2021-12-01 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one |
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