![V2Q V2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V2Q.svg) | V2Q | Name: | 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde | Formula: | C12 H13 N O3 | SMILES: | COC1CN(C1)C(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3 | Definition date: | 2021-04-08 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde |
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![V2T V2T](https://data.pdbj.org/pdbjplus/data/cc/svg/V2T.svg) | V2T | Name: | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide | Formula: | C12 H11 N3 O2 | SMILES: | Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1 | InChi: | InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17) | Definition date: | 2021-04-08 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide |
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![V2W V2W](https://data.pdbj.org/pdbjplus/data/cc/svg/V2W.svg) | V2W | Name: | 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide | Formula: | C16 H15 N O3 | SMILES: | COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1 | InChi: | InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19) | Definition date: | 2021-04-08 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide |
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![V32 V32](https://data.pdbj.org/pdbjplus/data/cc/svg/V32.svg) | V32 | Name: | 4-morpholin-4-ylcarbonylbenzaldehyde | Formula: | C12 H13 N O3 | SMILES: | O=Cc1ccc(cc1)C(=O)N2CCOCC2 | InChi: | InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2 | Definition date: | 2021-04-08 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-morpholin-4-ylcarbonylbenzaldehyde |
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![V3B V3B](https://data.pdbj.org/pdbjplus/data/cc/svg/V3B.svg) | V3B | Name: | 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide | Formula: | C15 H19 N3 O3 | SMILES: | CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3 | Definition date: | 2021-04-08 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide |
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![V3K V3K](https://data.pdbj.org/pdbjplus/data/cc/svg/V3K.svg) | V3K | Name: | 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide | Formula: | C13 H13 N3 O2 | SMILES: | Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1 | InChi: | InChI=1S/C13H13N3O2/c1-16-8-11(7-15-16)6-14-13(18)12-4-2-10(9-17)3-5-12/h2-5,7-9H,6H2,1H3,(H,14,18) | Definition date: | 2021-04-09 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide |
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![V3N V3N](https://data.pdbj.org/pdbjplus/data/cc/svg/V3N.svg) | V3N | Name: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide | Formula: | C14 H17 N O3 | SMILES: | O=Cc1ccc(cc1)C(=O)NCC2CCOCC2 | InChi: | InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17) | Definition date: | 2021-04-09 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide |
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![V3Q V3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V3Q.svg) | V3Q | Name: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide | Formula: | C16 H15 N O3 | SMILES: | COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1 | InChi: | InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19) | Definition date: | 2021-04-09 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide |
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![V3T V3T](https://data.pdbj.org/pdbjplus/data/cc/svg/V3T.svg) | V3T | Name: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide | Formula: | C13 H13 N3 O2 | SMILES: | Cn1ccnc1CNC(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18) | Definition date: | 2021-04-09 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide |
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![V3W V3W](https://data.pdbj.org/pdbjplus/data/cc/svg/V3W.svg) | V3W | Name: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde | Formula: | C14 H17 N O3 | SMILES: | COC1CCN(CC1)C(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3 | Definition date: | 2021-04-09 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde |
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![V3Z V3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/V3Z.svg) | V3Z | Name: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate | Formula: | C10 H11 N O6 S | SMILES: | CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O | InChi: | InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3 | Definition date: | 2021-04-12 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate |
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![V42 V42](https://data.pdbj.org/pdbjplus/data/cc/svg/V42.svg) | V42 | Name: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate | Formula: | C11 H9 N3 O6 S | SMILES: | Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O | InChi: | InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3 | Definition date: | 2021-04-12 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate |
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![V48 V48](https://data.pdbj.org/pdbjplus/data/cc/svg/V48.svg) | V48 | Name: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate | Formula: | C16 H13 N O6 | SMILES: | COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1 | InChi: | InChI=1S/C16H13NO6/c1-22-13-4-2-3-11(7-13)9-16(19)23-15-8-12(10-18)5-6-14(15)17(20)21/h2-8,10H,9H2,1H3 | Definition date: | 2021-04-12 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate |
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![V4B V4B](https://data.pdbj.org/pdbjplus/data/cc/svg/V4B.svg) | V4B | Name: | [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate | Formula: | C15 H9 F3 N2 O5 | SMILES: | Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F | InChi: | InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3 | Definition date: | 2021-04-12 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | (5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
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![V4H V4H](https://data.pdbj.org/pdbjplus/data/cc/svg/V4H.svg) | V4H | Name: | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde | Formula: | C13 H15 N O3 | SMILES: | O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1 | Definition date: | 2021-04-12 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde |
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![V4K V4K](https://data.pdbj.org/pdbjplus/data/cc/svg/V4K.svg) | V4K | Name: | 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde | Formula: | C15 H19 N O3 | SMILES: | OCCC1CCN(CC1)C(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2 | Definition date: | 2021-04-12 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde |
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![V4N V4N](https://data.pdbj.org/pdbjplus/data/cc/svg/V4N.svg) | V4N | Name: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate | Formula: | C14 H8 Cl N O5 | SMILES: | [O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2 | InChi: | InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H | Definition date: | 2021-04-12 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate |
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![WMA WMA](https://data.pdbj.org/pdbjplus/data/cc/svg/WMA.svg) | WMA | Name: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione | Formula: | C15 H17 N3 O2 | SMILES: | n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2 | InChi: | InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1 | Definition date: | 2020-06-05 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
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![X5M X5M](https://data.pdbj.org/pdbjplus/data/cc/svg/X5M.svg) | X5M | Name: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one | Formula: | C15 H21 N4 O3 | SMILES: | CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[CH]2C | InChi: | InChI=1S/C15H21N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,21,22)/t10-/m1/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-06-04 | Release date: | 2021-06-09 | Identifier: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one |
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![ZNM ZNM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNM.svg) | ZNM | Name: | 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol | Formula: | C27 H31 F5 N4 O | SMILES: | FCCCN1CC(C1)Nc1cc(F)c(c(F)c1)C1c2[NH]c3ccccc3c2CC(C)N1CC(F)(F)CO | InChi: | InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1 | Definition date: | 2021-05-11 | Last modified: | 2021-05-28 | Release date: | 2021-06-02 | Identifier: | 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol |
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![XQ7 XQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/XQ7.svg) | XQ7 | Name: | (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol | Formula: | C16 H23 F2 N O2 | SMILES: | FC1(CCC(CC1)COc2cccc(c2)C(O)CCN)F | InChi: | InChI=1S/C16H23F2NO2/c17-16(18)7-4-12(5-8-16)11-21-14-3-1-2-13(10-14)15(20)6-9-19/h1-3,10,12,15,20H,4-9,11,19H2/t15-/m1/s1 | Synonyms: | gem-difluoro-(R)-emixustat | Definition date: | 2020-12-30 | Last modified: | 2021-05-28 | Release date: | 2021-06-02 | Identifier: | (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol |
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![R7Y R7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/R7Y.svg) | R7Y | Name: | (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh
exyl 3-amino-3-deoxy-alpha-D-glucopyranoside | Formula: | C20 H39 N5 O10 | SMILES: | CC(=O)NC1CC(C(OC1OC2C(N)CC(C(C2O)OC3OC(CO)C(O)C(C3O)N)N)CN)O | InChi: | InChI=1S/C20H39N5O10/c1-6(27)25-9-3-10(28)11(4-21)32-19(9)34-17-7(22)2-8(23)18(16(17)31)35-20-15(30)13(24)14(29)12(5-26)33-20/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)/t7-,8+,9+,10-,11+,12+,13-,14+,15+,16-,17+,18-,19+,20+/m0/s1 | Synonyms: | acetylated-tobramycin | Definition date: | 2020-02-07 | Last modified: | 2021-05-28 | Release date: | 2021-06-02 | Identifier: | (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside |
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![R85 R85](https://data.pdbj.org/pdbjplus/data/cc/svg/R85.svg) | R85 | Name: | 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine | Formula: | C30 H38 Cl N8 O2 P | SMILES: | COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc3ncc(Cl)c(Nc4ccccc4[P](C)(C)=O)n3)c5cnn(C)c5 | InChi: | InChI=1S/C30H38ClN8O2P/c1-37(2)21-11-13-39(14-12-21)26-16-27(41-4)25(15-22(26)20-17-33-38(3)19-20)35-30-32-18-23(31)29(36-30)34-24-9-7-8-10-28(24)42(5,6)40/h7-10,15-19,21H,11-14H2,1-6H3,(H2,32,34,35,36) | Definition date: | 2020-09-17 | Last modified: | 2021-05-28 | Release date: | 2021-06-02 | Identifier: | 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine |
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![N98 N98](https://data.pdbj.org/pdbjplus/data/cc/svg/N98.svg) | N98 | Name: | methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate | Formula: | C21 H15 N3 O4 | SMILES: | COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OCOc5c4 | InChi: | InChI=1S/C21H15N3O4/c1-26-21(25)17-10-15(14-7-8-18-19(9-14)28-12-27-18)22-20-11-16(23-24(17)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3 | Definition date: | 2019-11-18 | Last modified: | 2021-05-28 | Release date: | 2021-06-02 | Identifier: | methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate |
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![RN9 RN9](https://data.pdbj.org/pdbjplus/data/cc/svg/RN9.svg) | RN9 | Name: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide | Formula: | C25 H23 Cl N4 O5 | SMILES: | Cc1ccc(NC(=O)CCc2cccc(NC3=CC(=O)N([CH]4CCC(=O)NC4=O)C3=O)c2)cc1Cl | InChi: | InChI=1S/C25H23ClN4O5/c1-14-5-7-17(12-18(14)26)28-21(31)9-6-15-3-2-4-16(11-15)27-19-13-23(33)30(25(19)35)20-8-10-22(32)29-24(20)34/h2-5,7,11-13,20,27H,6,8-10H2,1H3,(H,28,31)(H,29,32,34)/t20-/m0/s1 | Definition date: | 2021-02-12 | Last modified: | 2021-05-28 | Release date: | 2021-06-02 | Identifier: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide |
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