![8L1 8L1](https://data.pdbj.org/pdbjplus/data/cc/svg/8L1.svg) | 8L1 | 表記: | N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea | 組成式: | C22 H20 Cl F3 N4 O2 S | SMILES: | c1(cccc(C(C)=NO)c1)C(C)(C)NC(=O)Nc2cc(c(cc2)Cl)c3nc(cs3)C(F)(F)F | InChi: | InChI=1S/C22H20ClF3N4O2S/c1-12(30-32)13-5-4-6-14(9-13)21(2,3)29-20(31)27-15-7-8-17(23)16(10-15)19-28-18(11-33-19)22(24,25)26/h4-11,32H,1-3H3,(H2,27,29,31)/b30-12+ | 定義日: | 2017-02-13 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea |
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![8L4 8L4](https://data.pdbj.org/pdbjplus/data/cc/svg/8L4.svg) | 8L4 | 表記: | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide | 組成式: | C17 H19 Cl N4 O2 | SMILES: | C(=N)(c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO | InChi: | InChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23) | 定義日: | 2017-02-13 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide |
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![8L7 8L7](https://data.pdbj.org/pdbjplus/data/cc/svg/8L7.svg) | 8L7 | 表記: | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine | 組成式: | C24 H30 Cl N3 O5 | SMILES: | c1(cccc(c1)C(=C)C)C(C)(NC(Nc3ccc(Cl)c(NC2OC(C(C2O)O)CO)c3)=O)C | InChi: | InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(12-29)33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21-,22+/m1/s1 | 定義日: | 2017-02-13 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine |
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![7KU 7KU](https://data.pdbj.org/pdbjplus/data/cc/svg/7KU.svg) | 7KU | 表記: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one | 組成式: | C14 H19 N5 O | SMILES: | n3c2ncnc(NC1CCCN(C1)C(CC)=O)c2cc3 | InChi: | InChI=1S/C14H19N5O/c1-2-12(20)19-7-3-4-10(8-19)18-14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,16,17,18)/t10-/m1/s1 | 定義日: | 2016-11-07 | 最終更新日: | 2017-02-17 | 公開日: | 2017-02-22 | 識別子(ID): | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one |
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![7KV 7KV](https://data.pdbj.org/pdbjplus/data/cc/svg/7KV.svg) | 7KV | 表記: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one | 組成式: | C16 H21 N5 O | SMILES: | n2c1ncnc(c1cc2)N3CCC4C3CN(C(=O)CC)CC4 | InChi: | InChI=1S/C16H21N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h3,6,10-11,13H,2,4-5,7-9H2,1H3,(H,17,18,19)/t11-,13-/m0/s1 | 定義日: | 2016-11-07 | 最終更新日: | 2017-02-17 | 公開日: | 2017-02-22 | 識別子(ID): | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one |
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![7KX 7KX](https://data.pdbj.org/pdbjplus/data/cc/svg/7KX.svg) | 7KX | 表記: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide | 組成式: | C15 H14 N4 O | SMILES: | n2cnc(c1cccc(c1)NC(CC)=O)c3c2ncc3 | InChi: | InChI=1S/C15H14N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h3-9H,2H2,1H3,(H,19,20)(H,16,17,18) | 定義日: | 2016-11-07 | 最終更新日: | 2017-02-17 | 公開日: | 2017-02-22 | 識別子(ID): | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide |
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![7SJ 7SJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7SJ.svg) | 7SJ | 表記: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde | 組成式: | C19 H20 N4 O3 | SMILES: | COc3cc(C=O)c(OCc1cccnc1c2ccnn2C(C)C)cn3 | InChi: | InChI=1S/C19H20N4O3/c1-13(2)23-16(6-8-22-23)19-14(5-4-7-20-19)12-26-17-10-21-18(25-3)9-15(17)11-24/h4-11,13H,12H2,1-3H3 | 定義日: | 2016-12-05 | 最終更新日: | 2017-02-17 | 公開日: | 2017-02-22 | 識別子(ID): | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde |
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![6H3 6H3](https://data.pdbj.org/pdbjplus/data/cc/svg/6H3.svg) | 6H3 | 表記: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide | 組成式: | C24 H28 Cl N7 O | SMILES: | c3(cnc(Nc1ccc(cc1)N2CCN(C)CC2)nc3Nc4ccccc4NC(=O)CC)Cl | InChi: | InChI=1S/C24H28ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h4-11,16H,3,12-15H2,1-2H3,(H,28,33)(H2,26,27,29,30) | 定義日: | 2016-04-08 | 最終更新日: | 2017-02-10 | 公開日: | 2017-02-15 | 識別子(ID): | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide |
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![R8C R8C](https://data.pdbj.org/pdbjplus/data/cc/svg/R8C.svg) | R8C | 表記: | 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide | 組成式: | C24 H19 F4 N3 O2 | SMILES: | CC(C(Oc1cc2c(cc1)n(nc2)c3ccc(F)cc3)c4ccccc4)NC(=O)C(F)(F)F | InChi: | InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1 | 定義日: | 2016-06-09 | 最終更新日: | 2017-02-10 | 公開日: | 2017-02-15 | 識別子(ID): | 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide |
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![W06 W06](https://data.pdbj.org/pdbjplus/data/cc/svg/W06.svg) | W06 | 表記: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid | 組成式: | C17 H11 F11 N2 O3 | SMILES: | OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | InChi: | InChI=1S/C17H11F11N2O3/c18-13(19,14(20,21)15(22,23)16(24,25)17(26,27)28)12(33)30-10(11(31)32)5-7-6-29-9-4-2-1-3-8(7)9/h1-4,6,10,29H,5H2,(H,30,33)(H,31,32)/t10-/m0/s1 | 定義日: | 2016-02-17 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid |
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![W0T W0T](https://data.pdbj.org/pdbjplus/data/cc/svg/W0T.svg) | W0T | 表記: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid | 組成式: | C18 H11 F13 N2 O3 | SMILES: | OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | InChi: | InChI=1S/C18H11F13N2O3/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)12(36)33-10(11(34)35)5-7-6-32-9-4-2-1-3-8(7)9/h1-4,6,10,32H,5H2,(H,33,36)(H,34,35)/t10-/m0/s1 | 定義日: | 2016-02-18 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid |
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![W10 W10](https://data.pdbj.org/pdbjplus/data/cc/svg/W10.svg) | W10 | 表記: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid | 組成式: | C21 H11 F19 N2 O3 | SMILES: | OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | InChi: | InChI=1S/C21H11F19N2O3/c22-13(23,12(45)42-10(11(43)44)5-7-6-41-9-4-2-1-3-8(7)9)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)40/h1-4,6,10,41H,5H2,(H,42,45)(H,43,44)/t10-/m0/s1 | 定義日: | 2016-02-18 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid |
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![W1Z W1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/W1Z.svg) | W1Z | 表記: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid | 組成式: | C23 H11 F23 N2 O3 | SMILES: | OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | InChi: | InChI=1S/C23H11F23N2O3/c24-13(25,12(51)48-10(11(49)50)5-7-6-47-9-4-2-1-3-8(7)9)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)22(42,43)23(44,45)46/h1-4,6,10,47H,5H2,(H,48,51)(H,49,50)/t10-/m0/s1 | 定義日: | 2016-02-17 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid |
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![I73 I73](https://data.pdbj.org/pdbjplus/data/cc/svg/I73.svg) | I73 | 表記: | (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol | 組成式: | C22 H30 N6 O | SMILES: | n2c(cc(NCc1ccccc1)n3ncc(c23)C(C)C)NCC4CCNCC4O | InChi: | InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m0/s1 | 定義日: | 2014-02-28 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | (3S,4S)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol |
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![I74 I74](https://data.pdbj.org/pdbjplus/data/cc/svg/I74.svg) | I74 | 表記: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol | 組成式: | C22 H30 N6 O | SMILES: | n2c(cc(NCc1ccccc1)n3ncc(c23)C(C)C)NCC4CCNCC4O | InChi: | InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1 | 定義日: | 2014-02-28 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | (3R,4R)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol |
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![5VZ 5VZ](https://data.pdbj.org/pdbjplus/data/cc/svg/5VZ.svg) | 5VZ | 表記: | ~{N}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide | 組成式: | C26 H34 Cl N7 O2 S | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2 | InChi: | InChI=1S/C26H34ClN7O2S/c1-18-17-28-25(30-19-6-9-21(10-7-19)34-14-12-33(5)13-15-34)31-24(18)29-20-8-11-22(27)23(16-20)32-37(35,36)26(2,3)4/h6-11,16-17,32H,12-15H2,1-5H3,(H2,28,29,30,31) | 定義日: | 2015-12-14 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | ~{N}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide |
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![5W0 5W0](https://data.pdbj.org/pdbjplus/data/cc/svg/5W0.svg) | 5W0 | 表記: | ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide | 組成式: | C26 H34 F N7 O2 S | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F | InChi: | InChI=1S/C26H34FN7O2S/c1-18-17-28-25(30-20-9-10-23(22(27)16-20)34-13-11-33(5)12-14-34)31-24(18)29-19-7-6-8-21(15-19)32-37(35,36)26(2,3)4/h6-10,15-17,32H,11-14H2,1-5H3,(H2,28,29,30,31) | 定義日: | 2015-12-14 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide |
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![5W1 5W1](https://data.pdbj.org/pdbjplus/data/cc/svg/5W1.svg) | 5W1 | 表記: | ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide | 組成式: | C26 H33 Cl F N7 O2 S | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2F | InChi: | InChI=1S/C26H33ClFN7O2S/c1-17-16-29-25(31-18-7-9-23(21(28)14-18)35-12-10-34(5)11-13-35)32-24(17)30-19-6-8-20(27)22(15-19)33-38(36,37)26(2,3)4/h6-9,14-16,33H,10-13H2,1-5H3,(H2,29,30,31,32) | 定義日: | 2015-12-14 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide |
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![6VN 6VN](https://data.pdbj.org/pdbjplus/data/cc/svg/6VN.svg) | 6VN | 表記: | 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid | 組成式: | C26 H33 N3 O2 | SMILES: | C[CH]1C[CH](CC(C)(C)C1)n2c(Nc3ccc(cc3)C(C)C)nc4cc(ccc24)C(O)=O | InChi: | InChI=1S/C26H33N3O2/c1-16(2)18-6-9-20(10-7-18)27-25-28-22-13-19(24(30)31)8-11-23(22)29(25)21-12-17(3)14-26(4,5)15-21/h6-11,13,16-17,21H,12,14-15H2,1-5H3,(H,27,28)(H,30,31)/t17-,21+/m1/s1 | 定義日: | 2016-07-07 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid |
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![70P 70P](https://data.pdbj.org/pdbjplus/data/cc/svg/70P.svg) | 70P | 表記: | (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one | 組成式: | C18 H22 N4 O2 | SMILES: | c1cccc(c1)C(C)Nc2nccc(n2)N3C(COC3=O)C(C)C | InChi: | InChI=1S/C18H22N4O2/c1-12(2)15-11-24-18(23)22(15)16-9-10-19-17(21-16)20-13(3)14-7-5-4-6-8-14/h4-10,12-13,15H,11H2,1-3H3,(H,19,20,21)/t13-,15+/m0/s1 | 定義日: | 2016-08-08 | 最終更新日: | 2017-02-03 | 公開日: | 2017-02-08 | 識別子(ID): | (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one |
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![T7X T7X](https://data.pdbj.org/pdbjplus/data/cc/svg/T7X.svg) | T7X | 表記: | Phosphatidylinositol | 組成式: | C47 H83 O13 P | SMILES: | C1(C(C(C(C(C1O)O)O)O)O)OP(OCC(OC(CCCC=[C@H]CC=[C@H]C[C@H]=CCC=CCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O | InChi: | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1 | 定義日: | 2016-02-02 | 最終更新日: | 2017-01-26 | 公開日: | 2017-02-01 | 識別子(ID): | (2R)-1-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11E,14E)-icosa-5,8,11,14-tetraenoate |
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![66L 66L](https://data.pdbj.org/pdbjplus/data/cc/svg/66L.svg) | 66L | 表記: | N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 組成式: | C31 H29 F2 N5 O5 | SMILES: | C1COCCN1CCOc2cc3c(cn2)c(ccn3)Oc4ccc(cc4F)NC(C6(C(=O)Nc5ccc(F)cc5)CC6)=O | InChi: | InChI=1S/C31H29F2N5O5/c32-20-1-3-21(4-2-20)36-29(39)31(8-9-31)30(40)37-22-5-6-27(24(33)17-22)43-26-7-10-34-25-18-28(35-19-23(25)26)42-16-13-38-11-14-41-15-12-38/h1-7,10,17-19H,8-9,11-16H2,(H,36,39)(H,37,40) | 定義日: | 2016-02-04 | 最終更新日: | 2017-01-26 | 公開日: | 2017-02-01 | 識別子(ID): | N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide |
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![8A1 8A1](https://data.pdbj.org/pdbjplus/data/cc/svg/8A1.svg) | 8A1 | 表記: | (2S)-2,3-dihydroxy-2-methylpropanoic acid | 組成式: | C4 H8 O4 | SMILES: | O=C(C(C)(CO)O)O | InChi: | InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)/t4-/m0/s1 | 定義日: | 2017-01-13 | 最終更新日: | 2017-01-26 | 公開日: | 2017-02-01 | 識別子(ID): | (2S)-2,3-dihydroxy-2-methylpropanoic acid |
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![LQA LQA](https://data.pdbj.org/pdbjplus/data/cc/svg/LQA.svg) | LQA | 表記: | 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile | 組成式: | C25 H23 N3 O4 | SMILES: | COc1cc(ccc1OC(C)C)C2=C(C#N)C(=N)N3CCc4cc5OCOc5cc4C3=C2 | InChi: | InChI=1S/C25H23N3O4/c1-14(2)32-21-5-4-15(8-22(21)29-3)17-10-20-18-11-24-23(30-13-31-24)9-16(18)6-7-28(20)25(27)19(17)12-26/h4-5,8-11,14,27H,6-7,13H2,1-3H3/b27-25- | 定義日: | 2016-10-17 | 最終更新日: | 2017-01-20 | 公開日: | 2017-01-25 | 識別子(ID): | 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile |
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![78E 78E](https://data.pdbj.org/pdbjplus/data/cc/svg/78E.svg) | 78E | 表記: | 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone | 組成式: | C30 H42 N4 O6 | SMILES: | N1N3CCCC1C(OCCC=CC=CCCCCC(=O)NC(C(NC(Cc2cc(O)ccc2)C3=O)=O)C(C)C)=O | InChi: | InChI=1S/C30H42N4O6/c1-21(2)27-28(37)31-25(20-22-13-11-14-23(35)19-22)29(38)34-17-12-15-24(33-34)30(39)40-18-10-8-6-4-3-5-7-9-16-26(36)32-27/h3-4,6,8,11,13-14,19,21,24-25,27,33,35H,5,7,9-10,12,15-18,20H2,1-2H3,(H,31,37)(H,32,36)/b4-3+,8-6+/t24-,25-,27-/m0/s1 | 定義日: | 2016-09-12 | 最終更新日: | 2017-01-20 | 公開日: | 2017-01-25 | 識別子(ID): | (3S,6S,13E,15E,21S)-3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone |
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