![AXV AXV](https://data.pdbj.org/pdbjplus/data/cc/svg/AXV.svg) | AXV | 表記: | 1~{H}-benzimidazol-2-ylcyanamide | 組成式: | C8 H6 N4 | SMILES: | N#CNc1[nH]c2ccccc2n1 | InChi: | InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12) | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 1~{H}-benzimidazol-2-ylcyanamide |
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![AYJ AYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/AYJ.svg) | AYJ | 表記: | 2-[cyclohexyl(methylsulfonyl)amino]ethanamide | 組成式: | C9 H18 N2 O3 S | SMILES: | C[S](=O)(=O)N(CC(N)=O)C1CCCCC1 | InChi: | InChI=1S/C9H18N2O3S/c1-15(13,14)11(7-9(10)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,12) | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 2-[cyclohexyl(methylsulfonyl)amino]ethanamide |
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![AYS AYS](https://data.pdbj.org/pdbjplus/data/cc/svg/AYS.svg) | AYS | 表記: | 2-[(4-chlorophenyl)amino]benzamide | 組成式: | C13 H11 Cl N2 O | SMILES: | NC(=O)c1ccccc1Nc2ccc(Cl)cc2 | InChi: | InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17) | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 2-[(4-chlorophenyl)amino]benzamide |
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![B0A B0A](https://data.pdbj.org/pdbjplus/data/cc/svg/B0A.svg) | B0A | 表記: | ~{N}-cyclohexyl-2-phenoxy-ethanamide | 組成式: | C14 H19 N O2 | SMILES: | O=C(COc1ccccc1)NC2CCCCC2 | InChi: | InChI=1S/C14H19NO2/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16) | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | ~{N}-cyclohexyl-2-phenoxy-ethanamide |
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![B0G B0G](https://data.pdbj.org/pdbjplus/data/cc/svg/B0G.svg) | B0G | 表記: | (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate | 組成式: | C13 H17 N O3 | SMILES: | OC1CCN(CC1)C(=O)OCc2ccccc2 | InChi: | InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2 | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate |
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![B0J B0J](https://data.pdbj.org/pdbjplus/data/cc/svg/B0J.svg) | B0J | 表記: | 4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol | 組成式: | C14 H21 N O2 | SMILES: | CC1(C)C[CH](CCO1)NCc2ccc(O)cc2 | InChi: | InChI=1S/C14H21NO2/c1-14(2)9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h3-6,12,15-16H,7-10H2,1-2H3/t12-/m0/s1 | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol |
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![B0M B0M](https://data.pdbj.org/pdbjplus/data/cc/svg/B0M.svg) | B0M | 表記: | 1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone | 組成式: | C14 H17 N3 O | SMILES: | CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 | InChi: | InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)12-3-2-11-4-5-15-13(11)10-12/h2-5,10,15H,6-9H2,1H3 | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone |
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![B0V B0V](https://data.pdbj.org/pdbjplus/data/cc/svg/B0V.svg) | B0V | 表記: | 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide | 組成式: | C12 H17 N O2 | SMILES: | COCC(=O)Nc1c(C)cc(C)cc1C | InChi: | InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14) | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide |
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![B0Y B0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/B0Y.svg) | B0Y | 表記: | 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide | 組成式: | C12 H15 N3 O S | SMILES: | CCc1sc(cc1)C(=O)NCc2cnn(C)c2 | InChi: | InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16) | 定義日: | 2017-07-28 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide |
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![8HF 8HF](https://data.pdbj.org/pdbjplus/data/cc/svg/8HF.svg) | 8HF | 表記: | propyl (2~{R})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate | 組成式: | C28 H32 Cl N3 O4 | SMILES: | CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3c(Cl)cc(nc3c2)c4ccc(cc4)C(C)(C)O | InChi: | InChI=1S/C28H32ClN3O4/c1-5-14-36-27(34)32-13-12-31(17-18(32)2)26(33)20-8-11-22-23(29)16-24(30-25(22)15-20)19-6-9-21(10-7-19)28(3,4)35/h6-11,15-16,18,35H,5,12-14,17H2,1-4H3/t18-/m1/s1 | 定義日: | 2017-07-10 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | propyl (2~{R})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate |
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![8HR 8HR](https://data.pdbj.org/pdbjplus/data/cc/svg/8HR.svg) | 8HR | 表記: | propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate | 組成式: | C24 H24 Cl N3 O3 | SMILES: | CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(Cl)cc(nc3c2)c4ccccc4 | InChi: | InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3 | 定義日: | 2017-07-11 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate |
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![8KX 8KX](https://data.pdbj.org/pdbjplus/data/cc/svg/8KX.svg) | 8KX | 表記: | 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide | 組成式: | C21 H12 F3 N O6 S | SMILES: | Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](=O)(=O)Nc4ccc(cc4)C(F)(F)F | InChi: | InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H | 定義日: | 2017-07-27 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide |
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![8L3 8L3](https://data.pdbj.org/pdbjplus/data/cc/svg/8L3.svg) | 8L3 | 表記: | 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine | 組成式: | C18 H20 Cl2 N2 O | SMILES: | Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl | InChi: | InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2 | 定義日: | 2017-07-27 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine |
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![8LF 8LF](https://data.pdbj.org/pdbjplus/data/cc/svg/8LF.svg) | 8LF | 表記: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide | 組成式: | C21 H15 N O6 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O | InChi: | InChI=1S/C21H15NO6S/c1-11-6-8-12(9-7-11)29(27,28)22-16-10-15-17(21(26)20(16)25)19(24)14-5-3-2-4-13(14)18(15)23/h2-10,22,25-26H,1H3 | 定義日: | 2017-07-31 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide |
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![8N3 8N3](https://data.pdbj.org/pdbjplus/data/cc/svg/8N3.svg) | 8N3 | 表記: | (2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide | 組成式: | C15 H23 N3 O3 | SMILES: | CC(C)C[CH](NC(=O)NCc1cccc(C)c1)C(=O)NO | InChi: | InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1 | 定義日: | 2017-08-07 | 最終更新日: | 2018-08-03 | 公開日: | 2018-08-08 | 識別子(ID): | (2~{R})-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-~{N}-oxidanyl-pentanamide |
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![9UK 9UK](https://data.pdbj.org/pdbjplus/data/cc/svg/9UK.svg) | 9UK | 表記: | cobaltcarborane | 組成式: | C5 H5 B18 Co N2 O2 S | SMILES: | B[B]123B4B5[C]67[B+]48[B]19[B]2([B-]689)[C]7%10B3[Co]5%10%11B%12[C]%13(CN[S](N)(=O)=O)[B-]%14%15[B+]%16%17[C]%13%18B%19[B]%20%21%22B%11[B]%12%14%20[B]%15%16%21[B]%17%18%19%22 | InChi: | InChI=1S/C3H5B9N2O2S.C2HB9.Co/c13-17(15,16)14-1-2-3-6-9(3)8(3)7(2)10(4-2)5-11(6,9,10)12(7,8,9)10 | 定義日: | 2017-07-14 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 |
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![B5G B5G](https://data.pdbj.org/pdbjplus/data/cc/svg/B5G.svg) | B5G | 表記: | (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide | 組成式: | C26 H26 N6 O2 S | SMILES: | C1Cc5c(CN1C)sc(NC(c2cccc(c2)C4CCCN4C(Nc3cc(C#N)ccc3)=O)=O)n5 | InChi: | InChI=1S/C26H26N6O2S/c1-31-12-10-21-23(16-31)35-25(29-21)30-24(33)19-7-3-6-18(14-19)22-9-4-11-32(22)26(34)28-20-8-2-5-17(13-20)15-27/h2-3,5-8,13-14,22H,4,9-12,16H2,1H3,(H,28,34)(H,29,30,33)/t22-/m1/s1 | 定義日: | 2017-08-01 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide |
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![C87 C87](https://data.pdbj.org/pdbjplus/data/cc/svg/C87.svg) | C87 | 表記: | Momelotinib | 組成式: | C23 H22 N6 O2 | SMILES: | O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2 | InChi: | InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | 定義日: | 2009-05-18 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | ~{N}-(cyanomethyl)-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide |
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![CFJ CFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/CFJ.svg) | CFJ | 表記: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide | 組成式: | C25 H26 Cl N5 O4 | SMILES: | N1(C(N(C(c3c1ccc(NC(=O)CC(C)CC(=O)Nc2cc(c(cc2)C#N)Cl)c3)=O)CC)=O)CC | InChi: | InChI=1S/C25H26ClN5O4/c1-4-30-21-9-8-17(12-19(21)24(34)31(5-2)25(30)35)28-22(32)10-15(3)11-23(33)29-18-7-6-16(14-27)20(26)13-18/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,28,32)(H,29,33)/t15-/m0/s1 | 定義日: | 2017-09-21 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide |
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![F6K F6K](https://data.pdbj.org/pdbjplus/data/cc/svg/F6K.svg) | F6K | 表記: | Homosalinosporamide A - bound form | 組成式: | C16 H24 Cl N O4 | SMILES: | C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2 | InChi: | InChI=1S/C16H24ClNO4/c1-15(22)12(8-5-9-17)14(21)18-16(15,10-19)13(20)11-6-3-2-4-7-11/h3,6,10-13,20,22H,2,4-5,7-9H2,1H3,(H,18,21)/t11-,12+,13+,15+,16-/m1/s1 | 定義日: | 2018-06-02 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | (2~{R},3~{S},4~{R})-4-(3-chloranylpropyl)-2-[(~{S})-[(1~{S})-cyclohex-2-en-1-yl]-oxidanyl-methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde |
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![FCV FCV](https://data.pdbj.org/pdbjplus/data/cc/svg/FCV.svg) | FCV | 表記: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide | 組成式: | C18 H13 F2 N3 O3 S | SMILES: | c3ccnc(c2cc(C(=O)NNS(c1ccccc1F)(=O)=O)cc(c2)F)c3 | InChi: | InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24) | 定義日: | 2018-03-23 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide |
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![EKP EKP](https://data.pdbj.org/pdbjplus/data/cc/svg/EKP.svg) | EKP | 表記: | 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid | 組成式: | C33 H36 N2 O3 | SMILES: | C(C)(c2cccc(C1CC1)c2)NC(=O)c3cc4c(cc3)n(c(c4C)C)Cc5ccc(cc5)C(C)(C)C(=O)O | InChi: | InChI=1S/C33H36N2O3/c1-20-22(3)35(19-23-9-14-28(15-10-23)33(4,5)32(37)38)30-16-13-27(18-29(20)30)31(36)34-21(2)25-7-6-8-26(17-25)24-11-12-24/h6-10,13-18,21,24H,11-12,19H2,1-5H3,(H,34,36)(H,37,38)/t21-/m1/s1 | 定義日: | 2018-01-18 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid |
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![EKS EKS](https://data.pdbj.org/pdbjplus/data/cc/svg/EKS.svg) | EKS | 表記: | 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid | 組成式: | C34 H40 N2 O4 | SMILES: | Cc3c2c(ccc(C(=O)NC(c1ccc(cc1)C(C)(C)C)C)c2)n(c3C)Cc4cccc(c4)OC(C(O)=O)(C)C | InChi: | InChI=1S/C34H40N2O4/c1-21-23(3)36(20-24-10-9-11-28(18-24)40-34(7,8)32(38)39)30-17-14-26(19-29(21)30)31(37)35-22(2)25-12-15-27(16-13-25)33(4,5)6/h9-19,22H,20H2,1-8H3,(H,35,37)(H,38,39)/t22-/m0/s1 | 定義日: | 2018-01-18 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid |
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![EO1 EO1](https://data.pdbj.org/pdbjplus/data/cc/svg/EO1.svg) | EO1 | 表記: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine | 組成式: | C25 H23 N7 O2 | SMILES: | c6(c(c1c(OC)cc5c(c1)nc2c5c(nc(n2)C)Nc4c3c(cccc3)n(C)n4)c(C)no6)C | InChi: | InChI=1S/C25H23N7O2/c1-12-21(13(2)34-31-12)17-10-18-16(11-20(17)33-5)22-24(28-18)26-14(3)27-25(22)29-23-15-8-6-7-9-19(15)32(4)30-23/h6-11H,1-5H3,(H2,26,27,28,29,30) | 定義日: | 2018-01-24 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine |
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![EO4 EO4](https://data.pdbj.org/pdbjplus/data/cc/svg/EO4.svg) | EO4 | 表記: | N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | 組成式: | C24 H25 N7 O2 | SMILES: | c1(c(C)noc1C)c2cc6c(cc2OC)c5c(nc(nc5Nc3n(nc(c3)C4CC4)C)C)n6 | InChi: | InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28) | 定義日: | 2018-01-24 | 最終更新日: | 2018-07-27 | 公開日: | 2018-08-01 | 識別子(ID): | N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine |
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