![UJM UJM](https://data.pdbj.org/pdbjplus/data/cc/svg/UJM.svg) | UJM | Name: | (2S)-thiolane-2-carboxylic acid | Formula: | C5 H8 O2 S | SMILES: | C(O)(C1SCCC1)=O | InChi: | InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 | Definition date: | 2020-05-18 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (2S)-thiolane-2-carboxylic acid |
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![UJP UJP](https://data.pdbj.org/pdbjplus/data/cc/svg/UJP.svg) | UJP | Name: | (2R)-thiolane-2-carboxylic acid | Formula: | C5 H8 O2 S | SMILES: | C(O)(C1CCCS1)=O | InChi: | InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1 | Definition date: | 2020-05-18 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (2R)-thiolane-2-carboxylic acid |
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![SLW SLW](https://data.pdbj.org/pdbjplus/data/cc/svg/SLW.svg) | SLW | Name: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | Formula: | C25 H25 Cl N2 O2 | SMILES: | CC[CH](NC(=O)c1ccc(Cl)cc1)[CH]2[CH]3C[CH](C[CH]23)Oc4ccnc5ccccc45 | InChi: | InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17-,19-,20+,21-,24+/m1/s1 | Synonyms: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | Definition date: | 2020-11-25 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide |
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![4QI 4QI](https://data.pdbj.org/pdbjplus/data/cc/svg/4QI.svg) | 4QI | Name: | (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one | Formula: | C18 H15 Cl N6 O2 | SMILES: | Clc1cn[NH]c1C1N=C(NC=2CCCC(=O)C1=2)Nc1nc2ccccc2o1 | InChi: | InChI=1S/C18H15ClN6O2/c19-9-8-20-25-15(9)16-14-11(5-3-6-12(14)26)21-17(23-16)24-18-22-10-4-1-2-7-13(10)27-18/h1-2,4,7-8,16H,3,5-6H2,(H,20,25)(H2,21,22,23,24)/t16-/m1/s1 | Definition date: | 2021-07-13 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one |
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![J89 J89](https://data.pdbj.org/pdbjplus/data/cc/svg/J89.svg) | J89 | Name: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol | Formula: | C19 H34 N O5 P | SMILES: | CCCCCCCCc1ccc(CC[C](N)(CO)CO[P](O)(O)=O)cc1 | InChi: | InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 | Definition date: | 2021-04-23 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | [(2~{S})-2-azanyl-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate |
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![J8C J8C](https://data.pdbj.org/pdbjplus/data/cc/svg/J8C.svg) | J8C | Name: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid | Formula: | C29 H35 F3 N2 O3 | SMILES: | CCc1cc(ccc1CN2CC(C2)C(O)=O)C(C)=NOCc3ccc(C4CCCCC4)c(c3)C(F)(F)F | InChi: | InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+ | Definition date: | 2021-04-23 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid |
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![JER JER](https://data.pdbj.org/pdbjplus/data/cc/svg/JER.svg) | JER | Name: | (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol | Formula: | C25 H31 N3 O5 | SMILES: | CCc1cc(cc(C)c1OC[CH](O)CO)c2noc(n2)c3cc(OC)nc(c3)C4CCCC4 | InChi: | InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1 | Definition date: | 2021-05-27 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol |
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![JEU JEU](https://data.pdbj.org/pdbjplus/data/cc/svg/JEU.svg) | JEU | Name: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile | Formula: | C23 H24 N4 O3 | SMILES: | CC(C)Oc1ccc(cc1C#N)c2onc(n2)c3cccc4[CH](CCc34)NCCO | InChi: | InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1 | Definition date: | 2021-05-27 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile |
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![JEX JEX](https://data.pdbj.org/pdbjplus/data/cc/svg/JEX.svg) | JEX | Name: | 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | Formula: | C20 H10 F6 N2 O S | SMILES: | FC(F)(F)c1cccc(c1)c2noc(n2)c3sc(c(c3)c4ccccc4)C(F)(F)F | InChi: | InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H | Definition date: | 2021-05-27 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
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![JF9 JF9](https://data.pdbj.org/pdbjplus/data/cc/svg/JF9.svg) | JF9 | Name: | N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide | Formula: | C19 H28 N2 O2 | SMILES: | O=C(N(C1CCCCC1)C2CCCCC2)c3cc(on3)C4CC4 | InChi: | InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2 | Definition date: | 2021-05-28 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | ~{N},~{N}-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide |
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![V3V V3V](https://data.pdbj.org/pdbjplus/data/cc/svg/V3V.svg) | V3V | Name: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid | Formula: | C25 H18 Cl F N6 O4 | SMILES: | O=C(O)c5ccnc(NC(C3=C(NC(Nc2nc1c(cc(F)cc1)o2)=NC3c4ccccc4Cl)C)=O)c5 | InChi: | InChI=1S/C25H18ClFN6O4/c1-12-20(22(34)31-19-10-13(23(35)36)8-9-28-19)21(15-4-2-3-5-16(15)26)32-24(29-12)33-25-30-17-7-6-14(27)11-18(17)37-25/h2-11,21H,1H3,(H,35,36)(H,28,31,34)(H2,29,30,32,33)/t21-/m0/s1 | Definition date: | 2020-06-22 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid |
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![8IE 8IE](https://data.pdbj.org/pdbjplus/data/cc/svg/8IE.svg) | 8IE | Name: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine | Formula: | C18 H17 N5 S | SMILES: | CC1CN(Cc2ccccc21)c1nc2ccsc2c2nnc(C)n21 | InChi: | InChI=1S/C18H17N5S/c1-11-9-22(10-13-5-3-4-6-14(11)13)18-19-15-7-8-24-16(15)17-21-20-12(2)23(17)18/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1 | Definition date: | 2021-09-20 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine |
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![W5V W5V](https://data.pdbj.org/pdbjplus/data/cc/svg/W5V.svg) | W5V | Name: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide | Formula: | C19 H16 F2 N4 O4 | SMILES: | C2(=C(C(=O)N=C(c1c(F)cccc1F)N2)O)C(=O)NCCc3cc(OC)ncc3 | InChi: | InChI=1S/C19H16F2N4O4/c1-29-13-9-10(5-7-22-13)6-8-23-18(27)15-16(26)19(28)25-17(24-15)14-11(20)3-2-4-12(14)21/h2-5,7,9,26H,6,8H2,1H3,(H,23,27)(H,24,25,28) | Definition date: | 2020-09-29 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide |
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![W9G W9G](https://data.pdbj.org/pdbjplus/data/cc/svg/W9G.svg) | W9G | Name: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol | Formula: | C17 H35 N O6 | SMILES: | N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCCCCOC | InChi: | InChI=1S/C17H35NO6/c1-24-10-8-6-4-2-3-5-7-9-18-13-11-17(23,12-19)16(22)15(21)14(13)20/h13-16,18-23H,2-12H2,1H3/t13-,14-,15+,16-,17-/m0/s1 | Definition date: | 2020-10-02 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol |
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![W9P W9P](https://data.pdbj.org/pdbjplus/data/cc/svg/W9P.svg) | W9P | Name: | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol | Formula: | C20 H31 N7 O7 | SMILES: | N(C1C(O)C(C(C(C1)(CO)O)O)O)CCCCCCNc2ccc(cc2[N+](=O)[O-])n3cnnn3 | InChi: | InChI=1S/C20H31N7O7/c28-11-20(32)10-15(17(29)18(30)19(20)31)22-8-4-2-1-3-7-21-14-6-5-13(9-16(14)27(33)34)26-12-23-24-25-26/h5-6,9,12,15,17-19,21-22,28-32H,1-4,7-8,10-11H2/t15-,17-,18+,19-,20-/m0/s1 | Definition date: | 2020-10-04 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-tetrazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol |
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![W9S W9S](https://data.pdbj.org/pdbjplus/data/cc/svg/W9S.svg) | W9S | Name: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | Formula: | C7 H15 N O5 | SMILES: | NC1C(C(C(C(CO)(C1)O)O)O)O | InChi: | InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1 | Definition date: | 2020-10-04 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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![XFG XFG](https://data.pdbj.org/pdbjplus/data/cc/svg/XFG.svg) | XFG | Name: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | Formula: | C8 H18 B N2 O5 | SMILES: | N1CC(C(C1C(O)=O)CCC[B-](O)(O)O)N | InChi: | InChI=1S/C8H18BN2O5/c10-6-4-11-7(8(12)13)5(6)2-1-3-9(14,15)16/h5-7,11,14-16H,1-4,10H2,(H,12,13)/q-1/t5-,6+,7+/m1/s1 | Definition date: | 2020-12-16 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | {3-[(2S,3R,4R)-4-amino-2-carboxypyrrolidin-3-yl]propyl}(trihydroxy)borate(1-) |
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![XFP XFP](https://data.pdbj.org/pdbjplus/data/cc/svg/XFP.svg) | XFP | Name: | 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide | Formula: | C9 H19 B N O5 | SMILES: | OC(C1C(CCCN1)CCC[B-](O)(O)O)=O | InChi: | InChI=1S/C9H19BNO5/c12-9(13)8-7(4-2-6-11-8)3-1-5-10(14,15)16/h7-8,11,14-16H,1-6H2,(H,12,13)/q-1/t7-,8+/m1/s1 | Definition date: | 2020-12-16 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | {3-[(2S,3R)-2-carboxypiperidin-3-yl]propyl}(trihydroxy)borate(1-) |
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![YGG YGG](https://data.pdbj.org/pdbjplus/data/cc/svg/YGG.svg) | YGG | Name: | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole | Formula: | C10 H11 N3 S | SMILES: | C(CSc1cnn[NH]1)c1ccccc1 | InChi: | InChI=1S/C10H11N3S/c1-2-4-9(5-3-1)6-7-14-10-8-11-13-12-10/h1-5,8H,6-7H2,(H,11,12,13) | Definition date: | 2021-03-03 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole |
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![YNS YNS](https://data.pdbj.org/pdbjplus/data/cc/svg/YNS.svg) | YNS | Name: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide | Formula: | C22 H28 N8 | SMILES: | Cc1cc(cc(C)c1)Nc1cccc(n1)c1c(C)nnn1C1CCN(CC1)C(=N)N | InChi: | InChI=1S/C22H28N8/c1-14-11-15(2)13-17(12-14)25-20-6-4-5-19(26-20)21-16(3)27-28-30(21)18-7-9-29(10-8-18)22(23)24/h4-6,11-13,18H,7-10H2,1-3H3,(H3,23,24)(H,25,26) | Definition date: | 2021-03-15 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide |
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![YW1 YW1](https://data.pdbj.org/pdbjplus/data/cc/svg/YW1.svg) | YW1 | Name: | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | Formula: | C29 H32 N4 O4 | SMILES: | Cc1noc(C)c1c1cc(C(N)=O)c2c(c1)c1ccc(cc1n2CC1CC1)C(=O)N1CC(C)OC(C)C1 | InChi: | InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-22-23-9-21(26-17(3)31-37-18(26)4)10-24(28(30)34)27(23)33(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+ | Definition date: | 2021-04-01 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide |
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![YW4 YW4](https://data.pdbj.org/pdbjplus/data/cc/svg/YW4.svg) | YW4 | Name: | 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | Formula: | C28 H27 N3 O3 | SMILES: | Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2Cc1ccccc1)C(C)(C)O | InChi: | InChI=1S/C28H27N3O3/c1-16-25(17(2)34-30-16)19-12-22(27(29)32)26-21-11-10-20(28(3,4)33)14-23(21)31(24(26)13-19)15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3,(H2,29,32) | Definition date: | 2021-04-01 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide |
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![YW7 YW7](https://data.pdbj.org/pdbjplus/data/cc/svg/YW7.svg) | YW7 | Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | Formula: | C33 H35 N3 O4 | SMILES: | Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2C(c1ccccc1)C1CCOCC1)C(C)(C)O | InChi: | InChI=1S/C33H35N3O4/c1-19-29(20(2)40-35-19)23-16-26(32(34)37)30-25-11-10-24(33(3,4)38)18-27(25)36(28(30)17-23)31(21-8-6-5-7-9-21)22-12-14-39-15-13-22/h5-11,16-18,22,31,38H,12-15H2,1-4H3,(H2,34,37)/t31-/m1/s1 | Definition date: | 2021-04-01 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide |
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![YWA YWA](https://data.pdbj.org/pdbjplus/data/cc/svg/YWA.svg) | YWA | Name: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Formula: | C30 H33 N5 O2 | SMILES: | CC(C)(O)c1cc2n(c3cc(cnc3c2cc1)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1 | InChi: | InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | Definition date: | 2021-04-01 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
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![YWY YWY](https://data.pdbj.org/pdbjplus/data/cc/svg/YWY.svg) | YWY | Name: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | Formula: | C30 H32 F N5 O2 | SMILES: | Cc1nnn(C)c1c1cc2n(c3cc(cnc3c2cc1F)C(C)(C)O)C(C1CCOCC1)c1ccccc1 | InChi: | InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | Definition date: | 2021-04-02 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol |
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