 | | IAY | | Name: | 4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine | | Formula: | C21 H22 N4 O | | SMILES: | Cn1cc(nc1/C=C/c1nc(ccc1)N1CCOCC1)c1ccccc1 | | InChi: | InChI=1S/C21H22N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-11,16H,12-15H2,1H3/b11-10+ | | Definition date: | 2022-01-25 | | Last modified: | 2025-07-25 | | Release date: | 2022-10-12 | | Identifier: | 4-{6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]pyridin-2-yl}morpholine |
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 | | IHV | | Name: | 2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine | | Formula: | C19 H22 N4 | | SMILES: | Cn1cc(nc1CCc1nc(C)c(C)nc1C)c1ccccc1 | | InChi: | InChI=1S/C19H22N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,12H,10-11H2,1-4H3 | | Definition date: | 2022-01-25 | | Last modified: | 2025-07-25 | | Release date: | 2022-10-12 | | Identifier: | 2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine |
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 | | IJT | | Name: | 2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline | | Formula: | C20 H18 N4 O | | SMILES: | Cn1cc(nc1COc1nc2ccccc2nc1C)c1ccccc1 | | InChi: | InChI=1S/C20H18N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3 | | Definition date: | 2022-01-26 | | Last modified: | 2025-07-25 | | Release date: | 2022-10-12 | | Identifier: | 2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline |
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 | | IJW | | Name: | 6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide | | Formula: | C23 H25 N5 O3 | | SMILES: | O=C(NC1CCOC1)c1nc(cnc1OCc1nc(cn1C)c1ccccc1)C1CC1 | | InChi: | InChI=1S/C23H25N5O3/c1-28-12-19(15-5-3-2-4-6-15)26-20(28)14-31-23-21(22(29)25-17-9-10-30-13-17)27-18(11-24-23)16-7-8-16/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)/t17-/m0/s1 | | Definition date: | 2022-01-26 | | Last modified: | 2025-07-25 | | Release date: | 2022-10-12 | | Identifier: | 6-cyclopropyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide |
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 | | IK6 | | Name: | 5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide | | Formula: | C21 H19 N7 O2 | | SMILES: | O=C(Nc1ccn2cc(nc2n1)c1ccccc1)c1cnn(C)c1C(=O)N1CCC1 | | InChi: | InChI=1S/C21H19N7O2/c1-26-18(20(30)27-9-5-10-27)15(12-22-26)19(29)24-17-8-11-28-13-16(23-21(28)25-17)14-6-3-2-4-7-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,24,25,29) | | Definition date: | 2022-01-26 | | Last modified: | 2025-07-25 | | Release date: | 2022-10-12 | | Identifier: | 5-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4-carboxamide |
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 | | ILZ | | Name: | 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide | | Formula: | C21 H24 N6 O2 | | SMILES: | O=C(c1cnn(C)c1C(=O)NCCc1nc(cn1C)c1ccccc1)N1CCC1 | | InChi: | InChI=1S/C21H24N6O2/c1-25-14-17(15-7-4-3-5-8-15)24-18(25)9-10-22-20(28)19-16(13-23-26(19)2)21(29)27-11-6-12-27/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28) | | Definition date: | 2022-01-26 | | Last modified: | 2025-07-25 | | Release date: | 2022-10-12 | | Identifier: | 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide |
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 | | NOT | | Name: | 6-Azido-L-lysine | | Formula: | C6 H12 N4 O2 | | SMILES: | [N-]=[N+]=N/CCCCC(N)C(=O)O | | InChi: | InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1 | | Synonyms: | (S)-2-Amino-6-azidohexanoic acid | | Definition date: | 2009-05-08 | | Last modified: | 2025-07-23 | | Identifier: | 6-azido-L-norleucine |
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 | | LHV | | Name: | (2S)-2-hydroxy-3-methylbutanoic acid | | Formula: | C5 H10 O3 | | SMILES: | O=C(O)C(O)C(C)C | | InChi: | InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1 | | Definition date: | 2012-10-16 | | Last modified: | 2025-07-23 | | Release date: | 2016-04-20 | | Identifier: | (2S)-2-hydroxy-3-methylbutanoic acid |
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 | | Q75 | | Name: | Thiazole-histidine | | Formula: | C6 H8 N2 O2 S | | SMILES: | N[CH](Cc1scnc1)C(O)=O | | InChi: | InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid | | Definition date: | 2020-05-26 | | Last modified: | 2025-07-23 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid |
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 | | 32S | | Name: | 6-Seleno-tryptophan | | Formula: | C9 H10 N2 O2 Se | | SMILES: | O=C(O)C(N)Cc2c1[se]ccc1nc2 | | InChi: | InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1 | | Synonyms: | (S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID | | Definition date: | 2003-12-30 | | Last modified: | 2025-07-23 | | Identifier: | 3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine |
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 | | 32T | | Name: | (S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID | | Formula: | C9 H10 N2 O2 S | | SMILES: | O=C(O)C(N)Cc2c1sccc1nc2 | | InChi: | InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1 | | Definition date: | 2003-12-30 | | Last modified: | 2025-07-23 | | Identifier: | 3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine |
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 | | 6BR | | Name: | threoninevanadate | | Formula: | C4 H8 N O7 V | | SMILES: | NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O | | InChi: | InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8 | | Definition date: | 2016-03-03 | | Last modified: | 2025-07-23 | | Release date: | 2016-06-15 | | Identifier: | trioxido(oxo)(L-threoninato-kappaO~3~)vanadate(3-) |
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 | | A66 | | Name: | N-(3,7-Diaminopurin-6-ylacetyl)-L-lysine | | Formula: | C15 H24 N8 O3 | | SMILES: | O=C(O)C(N(C(=O)Cn1c2ncnc(c2nc1)N)CCN)CCCCN | | InChi: | InChI=1S/C15H24N8O3/c16-4-2-1-3-10(15(25)26)23(6-5-17)11(24)7-22-9-21-12-13(18)19-8-20-14(12)22/h8-10H,1-7,16-17H2,(H,25,26)(H2,18,19,20)/t10-/m1/s1 | | Synonyms: | 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-ADENINE | | Definition date: | 2003-02-19 | | Last modified: | 2025-07-23 | | Identifier: | N~2~-(2-aminoethyl)-N~2~-[(6-amino-9H-purin-9-yl)acetyl]-D-lysine |
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 | | FGL | | Name: | 2-AMINOPROPANEDIOIC ACID | | Formula: | C3 H5 N O4 | | SMILES: | O=C(O)C(N)C(=O)O | | InChi: | InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) | | Definition date: | 1999-07-08 | | Last modified: | 2025-07-23 | | Identifier: | aminopropanedioic acid |
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 | | BNO | | Name: | NORLEUCINE BORONIC ACID | | Formula: | C5 H14 B N O2 | | SMILES: | OB(O)C(N)CCCC | | InChi: | InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2025-07-23 | | Identifier: | [(1R)-1-aminopentyl]boronic acid |
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 | | 3TY | | Name: | 3-(Phenylhydrazono)-L-tyrosine | | Formula: | C16 H17 N3 O4 | | SMILES: | O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N | | InChi: | InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1 | | Synonyms: | 3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE | | Definition date: | 2004-08-11 | | Last modified: | 2025-07-23 | | Identifier: | 3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | HSK | | Name: | 3-hydroxy-L-histidine | | Formula: | C6 H9 N3 O3 | | SMILES: | O=C(O)C(N)Cc1cncn1O | | InChi: | InChI=1S/C6H9N3O3/c7-5(6(10)11)1-4-2-8-3-9(4)12/h2-3,5,12H,1,7H2,(H,10,11)/t5-/m0/s1 | | Definition date: | 2014-05-01 | | Last modified: | 2025-07-23 | | Release date: | 2014-09-03 | | Identifier: | 3-hydroxy-L-histidine |
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 | | 4DU | | Name: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine | | Formula: | C11 H15 N4 O6 P | | SMILES: | O=P(O)(O)OCC1OC(CC1O)n1cnc2c1ccnc2N | | InChi: | InChI=1S/C11H15N4O6P/c12-11-10-6(1-2-13-11)15(5-14-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13)(H2,17,18,19)/t7-,8+,9+/m0/s1 | | Definition date: | 2012-03-28 | | Last modified: | 2025-07-21 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine |
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 | | WQI | | Name: | 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C14 H18 Cl I N2 O3 S | | SMILES: | ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(I)cc2 | | InChi: | InChI=1S/C14H18ClIN2O3S/c15-9-14(19)17-10-11-5-7-18(8-6-11)22(20,21)13-3-1-12(16)2-4-13/h1-4,11H,5-10H2,(H,17,19) | | Definition date: | 2023-10-10 | | Last modified: | 2025-07-21 | | Release date: | 2025-04-16 | | Identifier: | 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide |
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 | | A1ADQ | | Name: | N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide | | Formula: | C43 H32 Cl F9 N8 O5 S | | SMILES: | CCS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2N1C(=O)c2ccc(cc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2CCCc21)C(F)(F)F)c1ccc(C=O)c(F)c1 | | InChi: | InChI=1S/C43H32ClF9N8O5S/c1-2-67(65,66)58-39-36-29(44)10-11-34(37(36)60(57-39)20-42(48,49)50)61-40(55-31-16-23(8-9-27(31)41(61)64)22-6-7-24(19-62)30(47)15-22)32(14-21-12-25(45)17-26(46)13-21)54-35(63)18-59-33-5-3-4-28(33)38(56-59)43(51,52)53/h6-13,15-17,19,32H,2-5,14,18,20H2,1H3,(H,54,63)(H,57,58) | | Definition date: | 2024-01-24 | | Last modified: | 2025-07-18 | | Release date: | 2025-07-23 | | Identifier: | N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide |
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 | | A1AZD | | Name: | tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate | | Formula: | C29 H32 F N5 O5 S | | SMILES: | CC(C)(C)OC(=O)NCCOCCOc1ccccc1c1nnc(Nc2ccc(CC(N)=O)cc2F)c2ccsc12 | | InChi: | InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35) | | Definition date: | 2024-07-16 | | Last modified: | 2025-07-18 | | Release date: | 2025-07-23 | | Identifier: | tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate |
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 | | A1AZV | | Name: | (2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name) | | Formula: | C47 H60 N6 O7 | | SMILES: | CC(=O)N(C)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC | | InChi: | InChI=1S/C47H60N6O7/c1-8-52-40-18-17-32-25-36(40)37(43(52)35-15-11-19-48-41(35)28(2)59-7)26-47(4,5)27-60-46(58)38-16-12-20-53(50-38)45(57)39(23-30-21-33(32)24-34(55)22-30)49-44(56)42(51(6)29(3)54)31-13-9-10-14-31/h11,15,17-19,21-22,24-25,28,31,38-39,42,50,55H,8-10,12-14,16,20,23,26-27H2,1-7H3,(H,49,56)/t28-,38+,39?,42?/m1/s1 | | Definition date: | 2024-07-25 | | Last modified: | 2025-07-18 | | Release date: | 2025-07-23 | | Identifier: | (2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name) |
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 | | A1AZY | | Name: | (2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name) | | Formula: | C54 H70 N8 O8 | | SMILES: | CC(N)C(=O)N1CCC2(C1)CCN(C2=O)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC | | InChi: | InChI=1S/C54H70N8O8/c1-7-60-44-17-16-36-28-40(44)41(47(60)39-14-10-20-56-45(39)33(3)69-6)29-53(4,5)31-70-51(67)42-15-11-21-62(58-42)50(66)43(26-34-24-37(36)27-38(63)25-34)57-48(64)46(35-12-8-9-13-35)61-23-19-54(52(61)68)18-22-59(30-54)49(65)32(2)55/h10,14,16-17,20,24-25,27-28,32-33,35,42-43,46,58,63H,7-9,11-13,15,18-19,21-23,26,29-31,55H2,1-6H3,(H,57,64)/t32?,33?,42?,43?,46?,54-/m0/s1 | | Definition date: | 2024-07-25 | | Last modified: | 2025-07-18 | | Release date: | 2025-07-23 | | Identifier: | (2R)-2-{(5S)-7-[(2R)-2-aminopropanoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-2-cyclopentyl-N-[(1M,8S,10S,14R,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]acetamide (non-preferred name) |
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 | | A1AZZ | | Name: | (2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name) | | Formula: | C63 H90 F3 N11 O7 | | SMILES: | CNC(CC1CC1)C(=O)N1CCC2(CCN(C2)C(C2CCCC2)C(=O)NC2CC3CN(CCO3)c3cc4c(CC(C)(C)COC(=O)C5CCCN(N5)C2=O)c(c2cc(cnc2C(C)OC)N2CCN(CC2)C2CC2)n(CC(F)(F)F)c4cc3)C1 | | InChi: | InChI=1S/C63H90F3N11O7/c1-40(82-5)54-48(31-45(34-68-54)72-25-23-71(24-26-72)43-14-15-43)56-49-33-61(2,3)39-84-60(81)50-11-8-20-77(70-50)59(80)52(32-46-35-73(27-28-83-46)44-16-17-53(47(49)30-44)76(56)38-63(64,65)66)69-57(78)55(42-9-6-7-10-42)74-21-18-62(36-74)19-22-75(37-62)58(79)51(67-4)29-41-12-13-41/h16-17,30-31,34,40-43,46,50-52,55,67,70H,6-15,18-29,32-33,35-39H2,1-5H3,(H,69,78)/t40-,46?,50+,51?,52?,55?,62+/m1/s1 | | Definition date: | 2024-07-25 | | Last modified: | 2025-07-18 | | Release date: | 2025-07-23 | | Identifier: | (2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name) |
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 | | A1B8E | | Name: | [(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile | | Formula: | C32 H37 Cl F N7 O2 | | SMILES: | CN1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC#N)N(CC1)C(=O)C(C)F)c1cccc2cccc(Cl)c21 | | InChi: | InChI=1S/C32H37ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,21,23-24H,5,8,11-12,14-20H2,1-2H3/t21-,23+,24+/m1/s1 | | Definition date: | 2025-04-10 | | Last modified: | 2025-07-18 | | Release date: | 2025-07-23 | | Identifier: | {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2R)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile |
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