![9ML 9ML](https://data.pdbj.org/pdbjplus/data/cc/svg/9ML.svg) | 9ML | 表記: | 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol | 組成式: | C27 H31 N O3 S | SMILES: | CCCCCc1ccc(cc1[CH]2C[CH]2c3ccccn3)c4ccc(cc4)[S](=O)(=O)CCO | InChi: | InChI=1S/C27H31NO3S/c1-2-3-4-7-21-9-10-22(20-11-13-23(14-12-20)32(30,31)17-16-29)18-24(21)25-19-26(25)27-8-5-6-15-28-27/h5-6,8-15,18,25-26,29H,2-4,7,16-17,19H2,1H3/t25-,26-/m1/s1 | 定義日: | 2018-06-03 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol |
|
![9N0 9N0](https://data.pdbj.org/pdbjplus/data/cc/svg/9N0.svg) | 9N0 | 表記: | 2-[4-[3-~{tert}-butyl-5-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol | 組成式: | C26 H29 N O3 S | SMILES: | CC(C)(C)c1cc(cc(c1)c2ccc(cc2)[S](=O)(=O)CCO)[CH]3C[CH]3c4ccccn4 | InChi: | InChI=1S/C26H29NO3S/c1-26(2,3)21-15-19(18-7-9-22(10-8-18)31(29,30)13-12-28)14-20(16-21)23-17-24(23)25-6-4-5-11-27-25/h4-11,14-16,23-24,28H,12-13,17H2,1-3H3/t23-,24-/m0/s1 | 定義日: | 2018-06-03 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 2-[4-[3-~{tert}-butyl-5-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol |
|
![9N3 9N3](https://data.pdbj.org/pdbjplus/data/cc/svg/9N3.svg) | 9N3 | 表記: | 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol | 組成式: | C25 H29 N O3 S | SMILES: | CC(C)(C)c1cc(CCc2ccccn2)cc(c1)c3ccc(cc3)[S](=O)(=O)CCO | InChi: | InChI=1S/C25H29NO3S/c1-25(2,3)22-17-19(7-10-23-6-4-5-13-26-23)16-21(18-22)20-8-11-24(12-9-20)30(28,29)15-14-27/h4-6,8-9,11-13,16-18,27H,7,10,14-15H2,1-3H3 | 定義日: | 2018-06-03 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol |
|
![A50 A50](https://data.pdbj.org/pdbjplus/data/cc/svg/A50.svg) | A50 | 表記: | 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol | 組成式: | C26 H31 N O3 S | SMILES: | c3c(S(CCO)(=O)=O)ccc(c2cc(CCc1ccccn1)c(cc2)CCCCC)c3 | InChi: | InChI=1S/C26H31NO3S/c1-2-3-4-7-21-9-10-23(20-24(21)11-14-25-8-5-6-17-27-25)22-12-15-26(16-13-22)31(29,30)19-18-28/h5-6,8-10,12-13,15-17,20,28H,2-4,7,11,14,18-19H2,1H3 | 定義日: | 2018-09-21 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol |
|
![A59 A59](https://data.pdbj.org/pdbjplus/data/cc/svg/A59.svg) | A59 | 表記: | 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol | 組成式: | C26 H29 N O3 S | SMILES: | c3c(S(CCO)(=O)=O)ccc(c2cc([C@H]=Cc1ccccn1)c(cc2)CCCCC)c3 | InChi: | InChI=1S/C26H29NO3S/c1-2-3-4-7-21-9-10-23(20-24(21)11-14-25-8-5-6-17-27-25)22-12-15-26(16-13-22)31(29,30)19-18-28/h5-6,8-17,20,28H,2-4,7,18-19H2,1H3/b14-11- | 定義日: | 2018-09-21 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol |
|
![B8X B8X](https://data.pdbj.org/pdbjplus/data/cc/svg/B8X.svg) | B8X | 表記: | 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol | 組成式: | C25 H27 N O3 S | SMILES: | CCCc1ccc(cc1[CH]2C[CH]2c3ccccn3)c4ccc(cc4)[S](=O)(=O)CCO | InChi: | InChI=1S/C25H27NO3S/c1-2-5-19-7-8-20(18-9-11-21(12-10-18)30(28,29)15-14-27)16-22(19)23-17-24(23)25-6-3-4-13-26-25/h3-4,6-13,16,23-24,27H,2,5,14-15,17H2,1H3/t23-,24-/m1/s1 | 定義日: | 2019-01-24 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol |
|
![B2U B2U](https://data.pdbj.org/pdbjplus/data/cc/svg/B2U.svg) | B2U | 表記: | N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine | 組成式: | C20 H18 Cl N O6 | SMILES: | c1ccccc1CC(C(O)=O)NC(=O)c3cc(Cl)c2CC(C)OC(c2c3O)=O | InChi: | InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1 | 定義日: | 2019-01-09 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine |
|
![H8Z H8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/H8Z.svg) | H8Z | 表記: | 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one | 組成式: | C15 H16 N6 O | SMILES: | Nc1ncnc2n(nc(C#C)c12)[CH]3CCCN(C3)C(=O)C=C | InChi: | InChI=1S/C15H16N6O/c1-3-11-13-14(16)17-9-18-15(13)21(19-11)10-6-5-7-20(8-10)12(22)4-2/h1,4,9-10H,2,5-8H2,(H2,16,17,18)/t10-/m1/s1 | 定義日: | 2018-11-28 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one |
|
![BXE BXE](https://data.pdbj.org/pdbjplus/data/cc/svg/BXE.svg) | BXE | 表記: | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium | 組成式: | C4 H9 N6 O | SMILES: | [NH3+]NC(=O)CCc1n[nH]nn1 | InChi: | InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1 | 定義日: | 2017-10-27 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium |
|
![HHZ HHZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HHZ.svg) | HHZ | 表記: | [[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 組成式: | C18 H26 N5 O15 P3 | SMILES: | Nc1ncnc2n(cc(C#CCNC(=O)COCCO)c12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 | InChi: | InChI=1S/C18H26N5O15P3/c19-17-16-11(2-1-3-20-14(26)9-34-5-4-24)7-23(18(16)22-10-21-17)15-6-12(25)13(36-15)8-35-40(30,31)38-41(32,33)37-39(27,28)29/h7,10,12-13,15,24-25H,3-6,8-9H2,(H,20,26)(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t12-,13+,15+/m0/s1 | 定義日: | 2018-12-07 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | [[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
|
![JDG JDG](https://data.pdbj.org/pdbjplus/data/cc/svg/JDG.svg) | JDG | 表記: | 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine | 組成式: | C31 H49 N5 O2 | SMILES: | C1N(CCC1)CCCOc5c(cc2c(N=C(CN=C2NC3CCN(CC3)C(C)C)C4CCCCC4)c5)OC | InChi: | InChI=1S/C31H49N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25H,4-19,22H2,1-3H3,(H,32,33) | 定義日: | 2018-08-31 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine |
|
![JGB JGB](https://data.pdbj.org/pdbjplus/data/cc/svg/JGB.svg) | JGB | 表記: | (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide | 組成式: | C10 H8 N2 O3 | SMILES: | NC(=O)C(=Cc1ccc(O)c(O)c1)C#N | InChi: | InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+ | 定義日: | 2019-02-20 | 最終更新日: | 2019-02-22 | 公開日: | 2019-02-27 | 識別子(ID): | (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide |
|
![MQ0 MQ0](https://data.pdbj.org/pdbjplus/data/cc/svg/MQ0.svg) | MQ0 | 表記: | 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile | 組成式: | C24 H20 N4 | SMILES: | N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4 | InChi: | InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27) | 定義日: | 1999-07-28 | 最終更新日: | 2019-02-18 | 識別子(ID): | 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile |
|
![G4H G4H](https://data.pdbj.org/pdbjplus/data/cc/svg/G4H.svg) | G4H | 表記: | ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide | 組成式: | C37 H36 N6 O3 | SMILES: | CCC(=O)Nc1ccc2N(C)C(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1 | InChi: | InChI=1S/C37H36N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h4-15,18,21-22,28H,3,16-17,19-20,23H2,1-2H3,(H,38,45)(H,39,44) | 定義日: | 2018-08-28 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide |
|
![G4N G4N](https://data.pdbj.org/pdbjplus/data/cc/svg/G4N.svg) | G4N | 表記: | ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide | 組成式: | C36 H35 N5 O3 | SMILES: | CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6 | InChi: | InChI=1S/C36H35N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h3-15,18,21-22,28H,2,16-17,19-20,23H2,1H3,(H,37,44)(H,38,42)(H,39,43) | 定義日: | 2018-08-28 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide |
|
![G4Q G4Q](https://data.pdbj.org/pdbjplus/data/cc/svg/G4Q.svg) | G4Q | 表記: | ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide | 組成式: | C34 H33 N5 O2 | SMILES: | CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6 | InChi: | InChI=1S/C34H33N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h3-17,22H,2,18-21,23H2,1H3,(H,35,41)(H,36,40) | 定義日: | 2018-08-28 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide |
|
![G4T G4T](https://data.pdbj.org/pdbjplus/data/cc/svg/G4T.svg) | G4T | 表記: | ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | 組成式: | C36 H35 Cl N6 O3 | SMILES: | CCC(=O)Nc1cc(NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6)ccc1Cl | InChi: | InChI=1S/C36H35ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h3-14,17,20-21,26H,2,15-16,18-19,22H2,1H3,(H,38,45)(H,41,44)(H2,39,40,46) | 定義日: | 2018-08-28 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide |
|
![G5B G5B](https://data.pdbj.org/pdbjplus/data/cc/svg/G5B.svg) | G5B | 表記: | (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione | 組成式: | C20 H29 Cl2 N O3 | SMILES: | CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12 | InChi: | InChI=1S/C20H29Cl2NO3/c1-10-5-6-15-19(2,3)17(22)13(21)9-20(15,4)12(10)8-14(24)11-7-16(25)23-18(11)26/h11-15,17,24H,1,5-9H2,2-4H3,(H,23,25,26)/t11-,12+,13+,14+,15+,17-,20-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
|
![G5W G5W](https://data.pdbj.org/pdbjplus/data/cc/svg/G5W.svg) | G5W | 表記: | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide | 組成式: | C15 H17 N3 O3 S | SMILES: | COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O | InChi: | InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide |
|
![G5Z G5Z](https://data.pdbj.org/pdbjplus/data/cc/svg/G5Z.svg) | G5Z | 表記: | (2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide | 組成式: | C13 H14 N4 O2 S | SMILES: | C[CH](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C)=O | InChi: | InChI=1S/C13H14N4O2S/c1-7(14)12(19)17-13-16-10(8(2)18)11(20-13)9-4-3-5-15-6-9/h3-7H,14H2,1-2H3,(H,16,17,19)/t7-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | (2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide |
|
![G6B G6B](https://data.pdbj.org/pdbjplus/data/cc/svg/G6B.svg) | G6B | 表記: | (2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide | 組成式: | C14 H16 N4 O2 S | SMILES: | C[CH](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O | InChi: | InChI=1S/C14H16N4O2S/c1-7(15)13(20)18-14-17-11(8(2)19)12(21-14)9-4-3-5-10(16)6-9/h3-7H,15-16H2,1-2H3,(H,17,18,20)/t7-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | (2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide |
|
![G6E G6E](https://data.pdbj.org/pdbjplus/data/cc/svg/G6E.svg) | G6E | 表記: | (2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide | 組成式: | C13 H15 N5 O2 S | SMILES: | C[CH](N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O | InChi: | InChI=1S/C13H15N5O2S/c1-6(14)12(20)18-13-17-10(7(2)19)11(21-13)8-3-9(15)5-16-4-8/h3-6H,14-15H2,1-2H3,(H,17,18,20)/t6-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | (2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide |
|
![G7B G7B](https://data.pdbj.org/pdbjplus/data/cc/svg/G7B.svg) | G7B | 表記: | 2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide | 組成式: | C9 H13 N3 O2 S | SMILES: | CC(=O)c1csc(NC(=O)C(C)(C)N)n1 | InChi: | InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14) | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | 2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide |
|
![G7E G7E](https://data.pdbj.org/pdbjplus/data/cc/svg/G7E.svg) | G7E | 表記: | ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide | 組成式: | C21 H25 N5 O4 S | SMILES: | CC(=O)c1nc(NC(=O)C2CNCCN2)sc1c3ccc(cc3)C(=O)N4CCOCC4 | InChi: | InChI=1S/C21H25N5O4S/c1-13(27)17-18(31-21(24-17)25-19(28)16-12-22-6-7-23-16)14-2-4-15(5-3-14)20(29)26-8-10-30-11-9-26/h2-5,16,22-23H,6-12H2,1H3,(H,24,25,28) | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide |
|
![G7H G7H](https://data.pdbj.org/pdbjplus/data/cc/svg/G7H.svg) | G7H | 表記: | (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide | 組成式: | C20 H23 N5 O3 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O | InChi: | InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1 | 定義日: | 2018-08-29 | 最終更新日: | 2019-02-15 | 公開日: | 2019-02-20 | 識別子(ID): | (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide |
|