![JUM JUM](https://data.pdbj.org/pdbjplus/data/cc/svg/JUM.svg) | JUM | 表記: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one | 組成式: | C16 H14 Cl2 N4 O2 | SMILES: | C1c2c(CCN1C(CO)=O)nc3c2c(cc(c3Cl)Cl)c4cnnc4 | InChi: | InChI=1S/C16H14Cl2N4O2/c17-11-3-9(8-4-19-20-5-8)14-10-6-22(13(24)7-23)2-1-12(10)21-16(14)15(11)18/h3-5,21,23H,1-2,6-7H2,(H,19,20) | 定義日: | 2018-09-25 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one |
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![MKV MKV](https://data.pdbj.org/pdbjplus/data/cc/svg/MKV.svg) | MKV | 表記: | 2,3,4-tribromo-1H-pyrrole | 組成式: | C4 H2 Br3 N | SMILES: | c1(c(Br)c(Br)cn1)Br | InChi: | InChI=1S/C4H2Br3N/c5-2-1-8-4(7)3(2)6/h1,8H | 定義日: | 2019-04-08 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 2,3,4-tribromo-1H-pyrrole |
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![D49 D49](https://data.pdbj.org/pdbjplus/data/cc/svg/D49.svg) | D49 | 表記: | 2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid | 組成式: | C32 H26 N4 O7 | SMILES: | O[CH](CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)C(O)=O)COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(O)=O | InChi: | InChI=1S/C32H26N4O7/c37-22(17-43-24-9-3-19(4-10-24)30-34-26-12-6-21(32(40)41)16-28(26)36-30)13-14-42-23-7-1-18(2-8-23)29-33-25-11-5-20(31(38)39)15-27(25)35-29/h1-12,15-16,22,37H,13-14,17H2,(H,33,35)(H,34,36)(H,38,39)(H,40,41)/t22-/m1/s1 | 定義日: | 2019-02-15 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid |
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![LLS LLS](https://data.pdbj.org/pdbjplus/data/cc/svg/LLS.svg) | LLS | 表記: | (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one | 組成式: | C19 H12 Cl2 N4 O3 | SMILES: | Cc1nn(c(O)c1[CH]2OC(=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4 | InChi: | InChI=1S/C19H12Cl2N4O3/c1-8-13(16-9-4-2-3-5-10(9)18(27)28-16)17(26)25(24-8)19-22-12-7-6-11(20)14(21)15(12)23-19/h2-7,16,26H,1H3,(H,22,23)/t16-/m0/s1 | 定義日: | 2019-03-01 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one |
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![LND LND](https://data.pdbj.org/pdbjplus/data/cc/svg/LND.svg) | LND | 表記: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium | 組成式: | C13 H16 N5 O2 | SMILES: | c1[n+](ccc(c1)C(N)=O)CCCn2c(ncc2)C=NO | InChi: | InChI=1S/C13H15N5O2/c14-13(19)11-2-7-17(8-3-11)5-1-6-18-9-4-15-12(18)10-16-20/h2-4,7-10H,1,5-6H2,(H2-,14,15,19,20)/p+1 | 定義日: | 2019-03-05 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium |
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![5DD 5DD](https://data.pdbj.org/pdbjplus/data/cc/svg/5DD.svg) | 5DD | 表記: | [(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | 組成式: | C18 H24 N3 O9 P | SMILES: | Cc1cc2C[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | InChi: | InChI=1S/C18H24N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-4,11,13-15,22-24H,5-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,13+,14-,15+/m1/s1 | 定義日: | 2018-10-31 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | [(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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![F2E F2E](https://data.pdbj.org/pdbjplus/data/cc/svg/F2E.svg) | F2E | 表記: | 1-[(4-aminophenyl)methyl]-3-[(2~{S},3~{R})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea | 組成式: | C24 H32 Br N5 O4 | SMILES: | C[CH](OCCCO)[CH](NC(=O)NCc1ccc(N)cc1)C(=O)N2CCCN2c3ccccc3Br | InChi: | InChI=1S/C24H32BrN5O4/c1-17(34-15-5-14-31)22(28-24(33)27-16-18-8-10-19(26)11-9-18)23(32)30-13-4-12-29(30)21-7-3-2-6-20(21)25/h2-3,6-11,17,22,31H,4-5,12-16,26H2,1H3,(H2,27,28,33)/t17-,22+/m1/s1 | 定義日: | 2018-05-17 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 1-[(4-aminophenyl)methyl]-3-[(2~{S},3~{R})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea |
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![F2H F2H](https://data.pdbj.org/pdbjplus/data/cc/svg/F2H.svg) | F2H | 表記: | 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate | 組成式: | C35 H22 N4 O15 S4 | SMILES: | [O-][S](=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4ccc(c5cccc(c45)[S]([O-])(=O)=O)[S]([O-])(=O)=O)c2)c6c1cccc6[S]([O-])(=O)=O | InChi: | InChI=1S/C35H26N4O15S4/c40-33(38-25-13-15-27(55(43,44)45)23-9-3-11-29(31(23)25)57(49,50)51)19-5-1-7-21(17-19)36-35(42)37-22-8-2-6-20(18-22)34(41)39-26-14-16-28(56(46,47)48)24-10-4-12-30(32(24)26)58(52,53)54/h1-18H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4 | 定義日: | 2018-05-18 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate |
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![9G3 9G3](https://data.pdbj.org/pdbjplus/data/cc/svg/9G3.svg) | 9G3 | 表記: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one | 組成式: | C16 H17 Cl F N3 O2 | SMILES: | c1(F)c(Cl)cc2c(c1)C(=O)N(C=N2)CC(=O)CC3NCCCC3 | InChi: | InChI=1S/C16H17ClFN3O2/c17-13-7-15-12(6-14(13)18)16(23)21(9-20-15)8-11(22)5-10-3-1-2-4-19-10/h6-7,9-10,19H,1-5,8H2/t10-/m0/s1 | 定義日: | 2018-04-13 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one |
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![NM4 NM4](https://data.pdbj.org/pdbjplus/data/cc/svg/NM4.svg) | NM4 | 表記: | (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine | 組成式: | C25 H26 Cl N5 O2 | SMILES: | c1(OC)cc(OC)c(cc1Cl)c5nc4cc(N3CCC(NCc2ccncc2)C3)ccn4c5 | InChi: | InChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-6-19(11-25(31)29-22)30-9-5-18(15-30)28-14-17-3-7-27-8-4-17/h3-4,6-8,10-13,16,18,28H,5,9,14-15H2,1-2H3/t18-/m0/s1 | 定義日: | 2019-05-20 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine |
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![PT9 PT9](https://data.pdbj.org/pdbjplus/data/cc/svg/PT9.svg) | PT9 | 表記: | [Pt(H2bapbpy)] platinum | 組成式: | C20 H16 N6 Pt | SMILES: | [Pt].N(c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3 | InChi: | InChI=1S/C20H16N6.Pt/c1-3-13-21-17(9-1)25-19-11-5-7-15(23-19)16-8-6-12-20(24-16)26-18-10-2-4-14-22-18 | 定義日: | 2017-11-28 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 |
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![8S3 8S3](https://data.pdbj.org/pdbjplus/data/cc/svg/8S3.svg) | 8S3 | 表記: | 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid | 組成式: | C18 H14 Cl2 N2 O3 | SMILES: | Cc1onc(C)c1c2cc(Cl)c(Nc3ccccc3C(O)=O)c(Cl)c2 | InChi: | InChI=1S/C18H14Cl2N2O3/c1-9-16(10(2)25-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(23)24/h3-8,21H,1-2H3,(H,23,24) | 定義日: | 2017-09-07 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid |
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![HBW HBW](https://data.pdbj.org/pdbjplus/data/cc/svg/HBW.svg) | HBW | 表記: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide | 組成式: | C26 H22 Cl2 F3 N5 O4 S | SMILES: | CNC(=O)[CH]1CCCN1[S](=O)(=O)c2ccc(Cl)c(COc3cccc4c(cc(nc34)C(F)(F)F)n5ccnc5)c2Cl | InChi: | InChI=1S/C26H22Cl2F3N5O4S/c1-32-25(37)18-5-3-10-36(18)41(38,39)21-8-7-17(27)16(23(21)28)13-40-20-6-2-4-15-19(35-11-9-33-14-35)12-22(26(29,30)31)34-24(15)20/h2,4,6-9,11-12,14,18H,3,5,10,13H2,1H3,(H,32,37)/t18-/m0/s1 | 定義日: | 2018-12-03 | 最終更新日: | 2019-05-24 | 公開日: | 2019-05-29 | 識別子(ID): | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide |
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![7MT 7MT](https://data.pdbj.org/pdbjplus/data/cc/svg/7MT.svg) | 7MT | 表記: | Tb-Xo4 | 組成式: | C20 H23 N5 O4 Tb | SMILES: | O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34 | InChi: | InChI=1S/C20H25N5O4.Tb/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29 | 定義日: | 2016-11-21 | 最終更新日: | 2019-05-23 | 公開日: | 2017-09-20 |
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![68G 68G](https://data.pdbj.org/pdbjplus/data/cc/svg/68G.svg) | 68G | 表記: | 13'2-hydroxyl-Chlorophyll a | 組成式: | C55 H72 Mg N4 O6 | SMILES: | C(C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCC2=C(C)C1=CC9=N8[Mg]56N1C2=C3C(C(=O)OC)(O)C(=O)C4=C(C)C(N5=C34)=Cc7n6c(c(c7CC)C)C=C8C(=C9C)CC | InChi: | InChI=1S/C55H73N4O6.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42 | 定義日: | 2016-02-17 | 最終更新日: | 2019-05-22 | 公開日: | 2016-05-04 | 識別子(ID): | [methyl 9,14-diethyl-21-hydroxy-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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![Z3A Z3A](https://data.pdbj.org/pdbjplus/data/cc/svg/Z3A.svg) | Z3A | 表記: | 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide | 組成式: | C18 H20 N4 O3 | SMILES: | O=C(c1cnn2c(c1NC(CO)C(O)C)cc(c2)c3ccccc3)N | InChi: | InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1 | 定義日: | 2019-02-12 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide |
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![GBV GBV](https://data.pdbj.org/pdbjplus/data/cc/svg/GBV.svg) | GBV | 表記: | N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide | 組成式: | C20 H26 N2 O4 S3 | SMILES: | C(COc1ccc(cc1)CC=2C(NC(=O)S=2)=O)NC(CCCCC3CCSS3)=O | InChi: | InChI=1S/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16,28H,1-4,9-13H2,(H,21,23)(H,22,24,25)/t16-/m1/s1 | 定義日: | 2018-05-18 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide |
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![GDY GDY](https://data.pdbj.org/pdbjplus/data/cc/svg/GDY.svg) | GDY | 表記: | (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione | 組成式: | C16 H13 N O3 S2 | SMILES: | c1cc(ccc1OCCc2cccs2)[C@H]=C3C(NC(=O)S3)=O | InChi: | InChI=1S/C16H13NO3S2/c18-15-14(22-16(19)17-15)10-11-3-5-12(6-4-11)20-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,17,18,19) | 定義日: | 2018-05-18 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione |
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![J0B J0B](https://data.pdbj.org/pdbjplus/data/cc/svg/J0B.svg) | J0B | 表記: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one | 組成式: | C13 H17 I N6 O | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(I)c3c(N)ncnc23 | InChi: | InChI=1S/C13H17IN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h7-8H,2-6H2,1H3,(H2,15,16,17)/t8-/m1/s1 | 定義日: | 2019-01-10 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one |
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![J0E J0E](https://data.pdbj.org/pdbjplus/data/cc/svg/J0E.svg) | J0E | 表記: | 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | 組成式: | C19 H22 N6 O2 | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(O)cc3)c4c(N)ncnc24 | InChi: | InChI=1S/C19H22N6O2/c1-2-15(27)24-9-3-4-13(10-24)25-19-16(18(20)21-11-22-19)17(23-25)12-5-7-14(26)8-6-12/h5-8,11,13,26H,2-4,9-10H2,1H3,(H2,20,21,22)/t13-/m1/s1 | 定義日: | 2019-01-10 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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![J3H J3H](https://data.pdbj.org/pdbjplus/data/cc/svg/J3H.svg) | J3H | 表記: | 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one | 組成式: | C13 H18 N6 O | SMILES: | CCC(=O)N1CCC[CH](C1)n2ncc3c(N)ncnc23 | InChi: | InChI=1S/C13H18N6O/c1-2-11(20)18-5-3-4-9(7-18)19-13-10(6-17-19)12(14)15-8-16-13/h6,8-9H,2-5,7H2,1H3,(H2,14,15,16)/t9-/m1/s1 | 定義日: | 2019-01-17 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one |
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![L0M L0M](https://data.pdbj.org/pdbjplus/data/cc/svg/L0M.svg) | L0M | 表記: | N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide | 組成式: | C27 H21 N5 O2 | SMILES: | Cc1nccn2c1nc(c2NC(=O)CN4c5ccccc5Oc3c4cccc3)c6ccccc6 | InChi: | InChI=1S/C27H21N5O2/c1-18-26-30-25(19-9-3-2-4-10-19)27(31(26)16-15-28-18)29-24(33)17-32-20-11-5-7-13-22(20)34-23-14-8-6-12-21(23)32/h2-16H,17H2,1H3,(H,29,33) | 定義日: | 2019-01-30 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide |
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![L0P L0P](https://data.pdbj.org/pdbjplus/data/cc/svg/L0P.svg) | L0P | 表記: | N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide | 組成式: | C24 H20 N4 O2 S | SMILES: | Cc1cccn2c1nc(c2NC(=O)CN4C(CSc3c4cccc3)=O)c5ccccc5 | InChi: | InChI=1S/C24H20N4O2S/c1-16-8-7-13-27-23(16)26-22(17-9-3-2-4-10-17)24(27)25-20(29)14-28-18-11-5-6-12-19(18)31-15-21(28)30/h2-13H,14-15H2,1H3,(H,25,29) | 定義日: | 2019-01-30 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
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![XS4 XS4](https://data.pdbj.org/pdbjplus/data/cc/svg/XS4.svg) | XS4 | 表記: | 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea | 組成式: | C35 H42 N10 O3 | SMILES: | COc1cc(OC)cc(c1)c2cc3cnc(NCc4cn(nn4)C5CCN(CC5)Cc6ccccc6)nc3nc2NC(=O)NC(C)(C)C | InChi: | InChI=1S/C35H42N10O3/c1-35(2,3)41-34(46)40-32-30(24-15-28(47-4)18-29(16-24)48-5)17-25-19-36-33(39-31(25)38-32)37-20-26-22-45(43-42-26)27-11-13-44(14-12-27)21-23-9-7-6-8-10-23/h6-10,15-19,22,27H,11-14,20-21H2,1-5H3,(H3,36,37,38,39,40,41,46) | 定義日: | 2018-12-15 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea |
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![GH1 GH1](https://data.pdbj.org/pdbjplus/data/cc/svg/GH1.svg) | GH1 | 表記: | (5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione | 組成式: | C19 H17 N O5 S | SMILES: | c1(ccc(cc1)CC2C(NC(=O)S2)=O)OCC(c3cccc(OC)c3)=O | InChi: | InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)/t17-/m0/s1 | 定義日: | 2018-05-21 | 最終更新日: | 2019-05-17 | 公開日: | 2019-05-22 | 識別子(ID): | (5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione |
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