 | | A1IDO | | Name: | ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide | | Formula: | C21 H23 Cl N2 O2 | | SMILES: | N[CH]1CC[CH](C1)Oc2ccc(cc2)N(Cc3ccc(Cl)cc3)C(=O)C=C | | InChi: | InChI=1S/C21H23ClN2O2/c1-2-21(25)24(14-15-3-5-16(22)6-4-15)18-8-11-19(12-9-18)26-20-10-7-17(23)13-20/h2-6,8-9,11-12,17,20H,1,7,10,13-14,23H2/t17-,20-/m1/s1 | | Definition date: | 2024-06-06 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 | | Identifier: | ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide |
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 | | O95 | | Name: | {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone | | Formula: | C17 H17 F3 N4 O3 S | | SMILES: | FC(F)(F)c1cc2nc(sc2c(c1C)NO)C4=NC(C(=O)N3CCCC3)CO4 | | InChi: | InChI=1S/C17H17F3N4O3S/c1-8-9(17(18,19)20)6-10-13(12(8)23-26)28-15(22-10)14-21-11(7-27-14)16(25)24-4-2-3-5-24/h6,11,23,26H,2-5,7H2,1H3/t11-/m0/s1 | | Definition date: | 2014-04-04 | | Last modified: | 2024-09-27 | | Release date: | 2015-10-28 | | Identifier: | {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone |
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 | | G5M | | Name: | (2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid | | Formula: | C13 H22 N2 O10 S | | SMILES: | C(NC1C(OC(CC(O)=O)C(O)=O)OC(C(O)C1O)CO)(C(CS)N)=O | | InChi: | InChI=1S/C13H22N2O10S/c14-4(3-26)11(21)15-8-10(20)9(19)6(2-16)25-13(8)24-5(12(22)23)1-7(17)18/h4-6,8-10,13,16,19-20,26H,1-3,14H2,(H,15,21)(H,17,18)(H,22,23)/t4-,5-,6+,8+,9+,10+,13-/m0/s1 | | Definition date: | 2018-05-08 | | Last modified: | 2024-09-27 | | Release date: | 2022-04-13 | | Identifier: | (2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid |
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 | | O9E | | Name: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | | Formula: | C30 H38 N8 O2 S2 | | SMILES: | CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1 | | InChi: | InChI=1S/C30H38N8O2S2/c1-7-12-38-18-22(32-34-38)16-36(6)30(40)28-14-26(20(4)42-28)24-11-9-10-23(24)25-13-27(41-19(25)3)29(39)35(5)15-21-17-37(8-2)33-31-21/h13-14,17-18H,7-12,15-16H2,1-6H3 | | Definition date: | 2020-02-24 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide |
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 | | G5U | | Name: | N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide | | Formula: | C27 H42 N6 O3 | | SMILES: | CC(C)N1CCC(Nc2nc(NC(=O)CC)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1 | | InChi: | InChI=1S/C27H42N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h17-20H,5-16H2,1-4H3,(H2,28,29,30,31,34) | | Definition date: | 2021-12-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-06 | | Identifier: | N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide |
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 | | A1IEY | | Name: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate | | Formula: | C19 H13 Cl F N O3 | | SMILES: | Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3 | | InChi: | InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2 | | Definition date: | 2024-06-17 | | Last modified: | 2024-09-27 | | Release date: | 2024-08-28 | | Identifier: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate |
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 | | A1IFK | | Name: | tert-butyl 4-[2-[[(2S)-1-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate | | Formula: | C47 H70 N6 O11 | | SMILES: | COc1ccc(C[CH](NC(=O)[CH](COCc2ccccc2)NC(=O)CN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N[CH](CC4CCCCC4)[C]5(O)O[CH](C)[CH](NC[C]5(C)O)C=O)cc1 | | InChi: | InChI=1S/C47H70N6O11/c1-32-38(28-54)48-31-46(5,59)47(60,63-32)40(26-33-13-9-7-10-14-33)51-42(56)37(25-34-17-19-36(61-6)20-18-34)50-43(57)39(30-62-29-35-15-11-8-12-16-35)49-41(55)27-52-21-23-53(24-22-52)44(58)64-45(2,3)4/h8,11-12,15-20,28,32-33,37-40,48,59-60H,7,9-10,13-14,21-27,29-31H2,1-6H3,(H,49,55)(H,50,57)(H,51,56)/t32-,37+,38-,39+,40+,46-,47+/m1/s1 | | Synonyms: | epoxyketone inhibitor 13 | | Definition date: | 2024-06-24 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-10 | | Identifier: | ~{tert}-butyl 4-[2-[[(2~{S})-1-[[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate |
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 | | G6K | | Name: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one | | Formula: | C22 H28 N8 O2 S | | SMILES: | O=C(N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5)CC | | InChi: | InChI=1S/C22H28N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h3-4,6,12,15H,2,5,7-11,13-14H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | | Definition date: | 2013-05-03 | | Last modified: | 2024-09-27 | | Release date: | 2013-08-21 | | Identifier: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one |
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 | | OAA | | Name: | OXALOACETATE ION | | Formula: | C4 H3 O5 | | SMILES: | [O-]C(=O)CC(=O)C(=O)O | | InChi: | InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-carboxy-3-oxopropanoate |
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 | | G74 | | Name: | ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Formula: | C16 H28 N2 O5 | | SMILES: | O=C(OCC)CCC(NC(=O)OC(C)(C)C)CC1C(=O)NCC1 | | InChi: | InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1 | | Definition date: | 2011-07-24 | | Last modified: | 2024-09-27 | | Identifier: | ethyl (4R)-4-[(tert-butoxycarbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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 | | G75 | | Name: | ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Formula: | C28 H35 N3 O6 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3 | | InChi: | InChI=1S/C28H35N3O6/c1-2-36-25(32)14-13-23(18-22-15-16-29-26(22)33)30-27(34)24(17-20-9-5-3-6-10-20)31-28(35)37-19-21-11-7-4-8-12-21/h3-12,22-24H,2,13-19H2,1H3,(H,29,33)(H,30,34)(H,31,35)/t22-,23+,24-/m0/s1 | | Definition date: | 2011-07-24 | | Last modified: | 2024-09-27 | | Identifier: | ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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 | | OAR | | Name: | N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE | | Formula: | C6 H16 N4 O | | SMILES: | [N@H]=C(NCCCC(N)CO)N | | InChi: | InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1-[(4S)-4-amino-5-hydroxypentyl]guanidine |
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 | | OAS | | Name: | O-ACETYLSERINE | | Formula: | C5 H9 N O4 | | SMILES: | O=C(OCC(N)C(=O)O)C | | InChi: | InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 | | Definition date: | 2000-02-01 | | Last modified: | 2024-09-27 | | Identifier: | O-acetyl-L-serine |
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 | | OAX | | Name: | 4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide | | Formula: | C13 H15 Cl N2 O2 | | SMILES: | Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O | | InChi: | InChI=1S/C13H15ClN2O2/c14-12-5-3-11(4-6-12)13(18)15-8-16(9-17)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,15,18) | | Definition date: | 2019-09-11 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-09 | | Identifier: | 4-chloranyl-~{N}-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide |
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 | | G7F | | Name: | N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide | | Formula: | C12 H16 N2 O S | | SMILES: | CN(Cc1sc2CCCCc2n1)C(=O)C=C | | InChi: | InChI=1S/C12H16N2OS/c1-3-12(15)14(2)8-11-13-9-6-4-5-7-10(9)16-11/h3H,1,4-8H2,2H3 | | Definition date: | 2020-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-06-22 | | Identifier: | ~{N}-methyl-~{N}-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide |
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 | | OAZ | | Name: | (2-azidophenyl)methyl hydrogen carbonate | | Formula: | C8 H7 N3 O2 | | SMILES: | C(=O)(O)OCc1c(cccc1)N=[N+]=[N-] | | InChi: | InChI=1S/C8H7N3O3/c9-11-10-7-4-2-1-3-6(7)5-14-8(12)13/h1-4H,5H2,(H,12,13) | | Definition date: | 2017-05-10 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-20 | | Identifier: | (2-azidophenyl)methyl hydrogen carbonate |
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 | | G7J | | Name: | 5-hydroxy-1,2-dihydro-6H-indol-6-one | | Formula: | C8 H7 N O2 | | SMILES: | N1CC=C2C=C(O)C(C=C12)=O | | InChi: | InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,9-10H,2H2 | | Definition date: | 2018-05-11 | | Last modified: | 2024-09-27 | | Release date: | 2019-03-20 | | Identifier: | 5-hydroxy-1,2-dihydro-6H-indol-6-one |
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 | | G7M | | Name: | N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H17 N5 O8 P | | SMILES: | O=P(O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O | | InChi: | InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 7-methylguanosine 5'-(dihydrogen phosphate) |
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 | | G7O | | Name: | N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | | Formula: | C14 H14 N2 O S | | SMILES: | C=CC(=O)N(Cc1sc2ccccc2n1)C3CC3 | | InChi: | InChI=1S/C14H14N2OS/c1-2-14(17)16(10-7-8-10)9-13-15-11-5-3-4-6-12(11)18-13/h2-6,10H,1,7-9H2 | | Definition date: | 2020-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-06-22 | | Identifier: | ~{N}-(1,3-benzothiazol-2-ylmethyl)-~{N}-cyclopropyl-prop-2-enamide |
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 | | 1E3 | | Name: | (2S)-2,9-diaminononanoic acid | | Formula: | C9 H20 N2 O2 | | SMILES: | O=C(O)C(N)CCCCCCCN | | InChi: | InChI=1S/C9H20N2O2/c10-7-5-3-1-2-4-6-8(11)9(12)13/h8H,1-7,10-11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2012-12-18 | | Last modified: | 2024-09-27 | | Release date: | 2013-03-06 | | Identifier: | (2S)-2,9-diaminononanoic acid |
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 | | G7U | | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | | Formula: | C23 H44 N3 O10 P | | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(O)CC(=O)CCCCCCCC | | InChi: | InChI=1S/C23H44N3O10P/c1-4-5-6-7-8-9-10-17(27)15-18(28)21(31)26-14-13-24-19(29)11-12-25-22(32)20(30)23(2,3)16-36-37(33,34)35/h18,20,28,30H,4-16H2,1-3H3,(H,24,29)(H,25,32)(H,26,31)(H2,33,34,35)/t18-,20+/m1/s1 | | Definition date: | 2023-04-27 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-27 | | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide |
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 | | OBF | | Name: | (2S)-2-amino-4,4-difluorobutanoic acid | | Formula: | C4 H7 F2 N O2 | | SMILES: | FC(F)CC(N)C(=O)O | | InChi: | InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1 | | Definition date: | 2008-03-14 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4,4-difluorobutanoic acid |
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 | | 1E8 | | Name: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one | | Formula: | C25 H24 N6 O2 | | SMILES: | n1c(c2c(nc1)n(nc2c3ccc(cc3)Oc4ccccc4)C5CCCN(C5)C(=O)C=C)N | | InChi: | InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | | Synonyms: | Imbruvica | | Definition date: | 2012-12-18 | | Last modified: | 2024-09-27 | | Release date: | 2014-04-16 | | Identifier: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one |
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 | | G7Z | | Name: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide | | Formula: | C8 H12 N2 O3 | | SMILES: | CNC(=O)CCN1C(=O)CCC1=O | | InChi: | InChI=1S/C8H12N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-5H2,1H3,(H,9,11) | | Definition date: | 2018-09-05 | | Last modified: | 2024-09-27 | | Release date: | 2019-09-18 | | Identifier: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide |
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 | | G81 | | Name: | ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Formula: | C25 H37 N3 O6 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccccc2 | | InChi: | InChI=1S/C25H37N3O6/c1-5-33-21(29)12-11-19(16-18-13-14-26-22(18)30)27-23(31)20(15-17-9-7-6-8-10-17)28-24(32)34-25(2,3)4/h6-10,18-20H,5,11-16H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19+,20-/m0/s1 | | Definition date: | 2011-07-24 | | Last modified: | 2024-09-27 | | Identifier: | ethyl (4R)-4-{[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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