 | | ZKV | | Name: | (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone | | Formula: | C20 H22 Cl F2 N3 O | | SMILES: | Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c3ccc(F)c(Cl)c3)nc1 | | InChi: | InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3 | | Definition date: | 2023-06-28 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone |
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 | | ZL9 | | Name: | 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one | | Formula: | C20 H24 N2 O5 | | SMILES: | COc1ccccc1OCCNCCCOc2ccc3OCC(=O)Nc3c2 | | InChi: | InChI=1S/C20H24N2O5/c1-24-18-5-2-3-6-19(18)26-12-10-21-9-4-11-25-15-7-8-17-16(13-15)22-20(23)14-27-17/h2-3,5-8,13,21H,4,9-12,14H2,1H3,(H,22,23) | | Definition date: | 2023-06-28 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one |
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 | | YN3 | | Name: | ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide | | Formula: | C28 H35 N7 O3 | | SMILES: | CCC(=O)Nc1ccc(cc1)C(=O)Nc2n[nH]c3c2CN(C(=O)N[CH](CN(C)C)c4ccccc4)C3(C)C | | InChi: | InChI=1S/C28H35N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h7-15,22H,6,16-17H2,1-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1 | | Definition date: | 2023-12-06 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide |
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 | | YNK | | Name: | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile | | Formula: | C23 H26 F3 N6 O P | | SMILES: | CC1(C)CC[CH](CN1)Nc2ncc(c(n2)c3c[nH]c4c3ccc(C#N)c4[P](C)(C)=O)C(F)(F)F | | InChi: | InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1 | | Definition date: | 2023-12-07 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile |
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 | | VV9 | | Name: | (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine | | Formula: | C16 H15 Br Cl N O3 S2 | | SMILES: | COc1ccc(cc1Br)[CH]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1 | | Synonyms: | BMS-986122 | | Definition date: | 2023-08-21 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine |
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 | | L1U | | Name: | [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol | | Formula: | C12 H15 As N6 O S2 | | SMILES: | Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1 | | InChi: | InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol |
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 | | L5R | | Name: | [(2R,3S,5R)-5-[(1R,6R)-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C25 H23 N2 O8 P | | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2[CH]3C(=C[C]3(C#Cc4ccccc4)C(=O)NC2=O)c5ccccc5 | | InChi: | InChI=1S/C25H23N2O8P/c28-19-13-21(35-20(19)15-34-36(31,32)33)27-22-18(17-9-5-2-6-10-17)14-25(22,23(29)26-24(27)30)12-11-16-7-3-1-4-8-16/h1-10,14,19-22,28H,13,15H2,(H,26,29,30)(H2,31,32,33)/t19-,20+,21+,22+,25-/m0/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | [(2~{R},3~{S},5~{R})-5-[(1~{R},6~{R})-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | X4X | | Name: | (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide | | Formula: | C20 H37 N O3 | | SMILES: | OCCNC(=O)CCCCCCCC(O)C=CC=C/CCCCC | | InChi: | InChI=1S/C20H37NO3/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-20(24)21-17-18-22/h6,8,11,14,19,22-23H,2-5,7,9-10,12-13,15-18H2,1H3,(H,21,24)/b8-6-,14-11+/t19-/m0/s1 | | Definition date: | 2022-10-27 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide |
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 | | A1AP7 | | Name: | 4-(4-methyl-1H-pyrazol-5-yl)pyridine | | Formula: | C9 H9 N3 | | SMILES: | Cc1cn[NH]c1c1ccncc1 | | InChi: | InChI=1S/C9H9N3/c1-7-6-11-12-9(7)8-2-4-10-5-3-8/h2-6H,1H3,(H,11,12) | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 4-(4-methyl-1H-pyrazol-5-yl)pyridine |
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 | | A1AP9 | | Name: | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C1NC(=O)NC21CCCNC2 | | InChi: | InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
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 | | A1AQA | | Name: | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone | | Formula: | C11 H15 N3 O | | SMILES: | CC1CCCCN1C(=O)c1cnccn1 | | InChi: | InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone |
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 | | A1AQB | | Name: | (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one | | Formula: | C10 H11 N3 O | | SMILES: | Nc1cccc(c1)N1N=C(C)CC1=O | | InChi: | InChI=1S/C10H11N3O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
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 | | A1AQE | | Name: | methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate | | Formula: | C13 H16 F N O2 | | SMILES: | O=C(OC)C1(Cc2ccc(F)cc2)CCNC1 | | InChi: | InChI=1S/C13H16FNO2/c1-17-12(16)13(6-7-15-9-13)8-10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3/t13-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate |
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 | | A1AQF | | Name: | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile | | Formula: | C5 H7 N O2 S | | SMILES: | N#CC1CCS(=O)(=O)C1 | | InChi: | InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile |
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 | | A1AQI | | Name: | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine | | Formula: | C10 H13 N3 | | SMILES: | CC(C)n1c2ccccc2nc1N | | InChi: | InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12) | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine |
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 | | A1AQJ | | Name: | (3-hydroxyphenyl)(morpholin-4-yl)methanone | | Formula: | C11 H13 N O3 | | SMILES: | O=C(c1cccc(O)c1)N1CCOCC1 | | InChi: | InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (3-hydroxyphenyl)(morpholin-4-yl)methanone |
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 | | A1ARP | | Name: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | | Formula: | C27 H34 N6 O3 S | | SMILES: | Cc1ncsc1c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(n2cc(nn2)C2CC2)C(C)(C)C)cc1 | | InChi: | InChI=1S/C27H34N6O3S/c1-16-23(37-15-29-16)19-7-5-17(6-8-19)12-28-25(35)22-11-20(34)13-32(22)26(36)24(27(2,3)4)33-14-21(30-31-33)18-9-10-18/h5-8,14-15,18,20,22,24,34H,9-13H2,1-4H3,(H,28,35)/t20-,22+,24-/m1/s1 | | Definition date: | 2024-05-13 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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 | | A1ASB | | Name: | (1Z)-N-hydroxy-2-methylpropanimidamide | | Formula: | C4 H10 N2 O | | SMILES: | CC(C)C(=N)NO | | InChi: | InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6) | | Definition date: | 2024-05-15 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (1Z)-N-hydroxy-2-methylpropanimidamide |
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 | | A1H1J | | Name: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate | | Formula: | C26 H26 Cl F N4 O3 | | SMILES: | CN(N(Cc1cccc(Cl)c1F)C=N)C(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3 | | InChi: | InChI=1S/C26H26ClFN4O3/c1-31(32(18-29)16-21-13-8-14-22(27)24(21)28)25(33)23(15-19-9-4-2-5-10-19)30-26(34)35-17-20-11-6-3-7-12-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/b29-18-/t23-/m0/s1 | | Definition date: | 2023-12-22 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate |
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 | | I6O | | Name: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole | | Formula: | C20 H27 N3 | | SMILES: | C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1 | | InChi: | InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1 | | Definition date: | 2023-07-28 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole |
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 | | XOE | | Name: | 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide | | Formula: | C27 H24 F4 N6 O3 S | | SMILES: | O=S(=O)(Cc1ccccc1)Nc1c(F)cc(Oc2ncccc2c2nc(ncc2)NC2CC(F)CNC2)c(F)c1F | | InChi: | InChI=1S/C27H24F4N6O3S/c28-17-11-18(14-32-13-17)35-27-34-10-8-21(36-27)19-7-4-9-33-26(19)40-22-12-20(29)25(24(31)23(22)30)37-41(38,39)15-16-5-2-1-3-6-16/h1-10,12,17-18,32,37H,11,13-15H2,(H,34,35,36) | | Definition date: | 2023-11-06 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide |
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 | | A1H7Y | | Name: | 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide | | Formula: | C26 H22 N4 O3 | | SMILES: | Cn1cnc(c2cc(ccc2C)C(=O)Nc3ccccc3)c1c4ccc5NC(=O)COc5c4 | | InChi: | InChI=1S/C26H22N4O3/c1-16-8-9-18(26(32)28-19-6-4-3-5-7-19)12-20(16)24-25(30(2)15-27-24)17-10-11-21-22(13-17)33-14-23(31)29-21/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31) | | Definition date: | 2024-04-09 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide |
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 | | A1H7Z | | Name: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one | | Formula: | C25 H27 N3 O3 | | SMILES: | Cc1onc(c2cc(CN3CCCCC3)ccc2C)c1c4ccc5NC(=O)COc5c4 | | InChi: | InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29) | | Definition date: | 2024-04-09 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one |
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 | | A1LX6 | | Name: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine | | Formula: | C17 H19 N O | | SMILES: | CN1CCO[CH](c2ccccc2)c3ccccc3C1 | | InChi: | InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1 | | Synonyms: | Nefopam | | Definition date: | 2024-02-09 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (1~{S})-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine |
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 | | A1LYV | | Name: | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid | | Formula: | C17 H13 F3 N2 O6 | | SMILES: | OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O | | InChi: | InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1 | | Definition date: | 2024-03-07 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid |
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