![SJQ SJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SJQ.svg) | SJQ | 表記: | 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one | 組成式: | C15 H19 Cl F2 N4 O2 | SMILES: | FC1(F)CCC(CC1)CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3 | InChi: | InChI=1S/C15H19ClF2N4O2/c16-13-11(7-19-20-14(13)24)21-5-6-22(12(23)9-21)8-10-1-3-15(17,18)4-2-10/h7,10H,1-6,8-9H2,(H,20,24) | 定義日: | 2020-11-18 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one |
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![SJS SJS](https://data.pdbj.org/pdbjplus/data/cc/svg/SJS.svg) | SJS | 表記: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one | 組成式: | C21 H18 F2 N6 O2 | SMILES: | OC1CCN(CC1)C2=NC(=CC(=O)N2)c3[nH]nc4ncc(cc34)c5c(F)cccc5F | InChi: | InChI=1S/C21H18F2N6O2/c22-14-2-1-3-15(23)18(14)11-8-13-19(27-28-20(13)24-10-11)16-9-17(31)26-21(25-16)29-6-4-12(30)5-7-29/h1-3,8-10,12,30H,4-7H2,(H,24,27,28)(H,25,26,31) | 定義日: | 2020-03-10 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one |
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![SJV SJV](https://data.pdbj.org/pdbjplus/data/cc/svg/SJV.svg) | SJV | 表記: | methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | 組成式: | C27 H28 N6 O3 | SMILES: | COC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12 | InChi: | InChI=1S/C27H28N6O3/c1-17-10-11-19-20(7-3-9-22(19)33-27(34)35-2)24(17)36-25-21(8-5-14-29-25)23-12-15-30-26(32-23)31-18-6-4-13-28-16-18/h3,5,7-12,14-15,18,28H,4,6,13,16H2,1-2H3,(H,33,34)(H,30,31,32)/t18-/m0/s1 | 定義日: | 2020-03-10 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate |
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![RSN RSN](https://data.pdbj.org/pdbjplus/data/cc/svg/RSN.svg) | RSN | 表記: | (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid | 組成式: | C17 H23 N5 O10 S | SMILES: | N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23 | InChi: | InChI=1S/C17H23N5O10S/c18-8-1-7(4-23)2-10-13(8)22(6-20-10)17-15(27)14(26)11(32-17)5-31-33(29,30)21-16(28)9(19)3-12(24)25/h1-2,6,9,11,14-15,17,23,26-27H,3-5,18-19H2,(H,21,28)(H,24,25)/t9-,11+,14+,15+,17+/m0/s1 | 定義日: | 2020-10-20 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid |
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![UHJ UHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UHJ.svg) | UHJ | 表記: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide | 組成式: | C16 H14 N4 O3 S2 | SMILES: | CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C(S3)=N)(=O)=O | InChi: | InChI=1S/C16H14N4O3S2/c1-25(22,23)20-13-4-2-11(3-5-13)12-6-10(8-18-9-12)7-14-15(21)19-16(17)24-14/h2-9,20H,1H3,(H2,17,19,21)/b14-7- | 定義日: | 2019-11-08 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide |
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![SKQ SKQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SKQ.svg) | SKQ | 表記: | 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one | 組成式: | C14 H19 Cl N4 O2 | SMILES: | ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2 | InChi: | InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21) | 別名: | GFB-9289 | 定義日: | 2020-11-24 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one |
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![SV5 SV5](https://data.pdbj.org/pdbjplus/data/cc/svg/SV5.svg) | SV5 | 表記: | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one | 組成式: | C14 H12 N2 O | SMILES: | O=C1NC=Cc2n(Cc3ccccc3)ccc12 | InChi: | InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one |
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![SV8 SV8](https://data.pdbj.org/pdbjplus/data/cc/svg/SV8.svg) | SV8 | 表記: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one | 組成式: | C20 H16 N4 O | SMILES: | O=C1NCc2c1[nH]cc2c3cnc4[nH]cc(Cc5ccccc5)c4c3 | InChi: | InChI=1S/C20H16N4O/c25-20-18-17(11-24-20)16(10-21-18)14-7-15-13(8-22-19(15)23-9-14)6-12-4-2-1-3-5-12/h1-5,7-10,21H,6,11H2,(H,22,23)(H,24,25) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one |
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![SVH SVH](https://data.pdbj.org/pdbjplus/data/cc/svg/SVH.svg) | SVH | 表記: | 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one | 組成式: | C13 H9 F N4 O | SMILES: | Fc1cc2[nH]ncc2c(c1)c3c[nH]c4C(=O)NCc34 | InChi: | InChI=1S/C13H9FN4O/c14-6-1-7(9-5-17-18-11(9)2-6)8-3-15-12-10(8)4-16-13(12)19/h1-3,5,15H,4H2,(H,16,19)(H,17,18) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one |
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![SVK SVK](https://data.pdbj.org/pdbjplus/data/cc/svg/SVK.svg) | SVK | 表記: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine | 組成式: | C14 H12 N2 | SMILES: | C(c1ccccc1)c2c[nH]c3ncccc23 | InChi: | InChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![SVT SVT](https://data.pdbj.org/pdbjplus/data/cc/svg/SVT.svg) | SVT | 表記: | 5-methoxy-1~{H}-indazole | 組成式: | C8 H8 N2 O | SMILES: | COc1ccc2[nH]ncc2c1 | InChi: | InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-methoxy-1~{H}-indazole |
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![SW5 SW5](https://data.pdbj.org/pdbjplus/data/cc/svg/SW5.svg) | SW5 | 表記: | 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine | 組成式: | C22 H22 F N5 | SMILES: | Fc1ccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)cc1 | InChi: | InChI=1S/C22H22FN5/c23-19-3-1-15(2-4-19)9-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-5-7-24-8-6-20/h1-4,10-14,20,24H,5-9H2,(H,25,26) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![SW8 SW8](https://data.pdbj.org/pdbjplus/data/cc/svg/SW8.svg) | SW8 | 表記: | 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine | 組成式: | C22 H22 F N5 | SMILES: | Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1 | InChi: | InChI=1S/C22H22FN5/c23-19-3-1-2-15(9-19)8-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-4-6-24-7-5-20/h1-3,9-14,20,24H,4-8H2,(H,25,26) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![SWB SWB](https://data.pdbj.org/pdbjplus/data/cc/svg/SWB.svg) | SWB | 表記: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one | 組成式: | C14 H12 N4 O | SMILES: | Cc1c[nH]c2ncc(cc12)c3c[nH]c4C(=O)NCc34 | InChi: | InChI=1S/C14H12N4O/c1-7-3-16-13-9(7)2-8(4-17-13)10-5-15-12-11(10)6-18-14(12)19/h2-5,15H,6H2,1H3,(H,16,17)(H,18,19) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one |
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![SWK SWK](https://data.pdbj.org/pdbjplus/data/cc/svg/SWK.svg) | SWK | 表記: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine | 組成式: | C22 H22 F N5 | SMILES: | Fc1ccccc1Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5 | InChi: | InChI=1S/C22H22FN5/c23-21-4-2-1-3-15(21)9-17-12-26-22-20(17)10-16(11-25-22)18-13-27-28(14-18)19-5-7-24-8-6-19/h1-4,10-14,19,24H,5-9H2,(H,25,26) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![SWN SWN](https://data.pdbj.org/pdbjplus/data/cc/svg/SWN.svg) | SWN | 表記: | 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine | 組成式: | C22 H23 N5 | SMILES: | C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3 | InChi: | InChI=1S/C22H23N5/c1-2-4-16(5-3-1)10-18-13-25-22-21(18)11-17(12-24-22)19-14-26-27(15-19)20-6-8-23-9-7-20/h1-5,11-15,20,23H,6-10H2,(H,24,25) | 定義日: | 2020-12-02 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![VCJ VCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VCJ.svg) | VCJ | 表記: | tetrakis(4-fluorophenyl)phosphanium | 組成式: | C24 H16 F4 P | SMILES: | c1c(ccc(c1)F)[P+](c2ccc(cc2)F)(c3ccc(F)cc3)c4ccc(cc4)F | InChi: | InChI=1S/C24H16F4P/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24/h1-16H/q+1 | 定義日: | 2020-07-28 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | tetrakis(4-fluorophenyl)phosphanium |
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![VGY VGY](https://data.pdbj.org/pdbjplus/data/cc/svg/VGY.svg) | VGY | 表記: | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol | 組成式: | C24 H22 Cl F N4 O | SMILES: | n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3 | InChi: | InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1 | 定義日: | 2020-08-12 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol |
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![VUG VUG](https://data.pdbj.org/pdbjplus/data/cc/svg/VUG.svg) | VUG | 表記: | 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine | 組成式: | C22 H29 N3 | SMILES: | c4cc(N1CCN(CC1)C3CCC(c2cccc(C)c2)CC3)cnc4 | InChi: | InChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+ | 定義日: | 2020-09-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine |
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![VUJ VUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VUJ.svg) | VUJ | 表記: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one | 組成式: | C23 H29 N3 O | SMILES: | C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=CC(NC=4)=O | InChi: | InChI=1S/C23H29N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-6,8,10,15-16,20,22H,7,9,11-14,17H2,1H3,(H,24,27)/t20-,22+/m0/s1 | 定義日: | 2020-09-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one |
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![VUM VUM](https://data.pdbj.org/pdbjplus/data/cc/svg/VUM.svg) | VUM | 表記: | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one | 組成式: | C23 H28 F3 N3 O2 | SMILES: | C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc(ccc3)C(F)(F)F)CC4)=O | InChi: | InChI=1S/C23H28F3N3O2/c24-23(25,26)19-3-1-2-18(14-19)22(31)8-6-20(7-9-22)29-12-10-28(11-13-29)16-17-4-5-21(30)27-15-17/h1-5,14-15,20,31H,6-13,16H2,(H,27,30)/t20-,22- | 定義日: | 2020-09-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one |
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![VYM VYM](https://data.pdbj.org/pdbjplus/data/cc/svg/VYM.svg) | VYM | 表記: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone | 組成式: | C13 H16 N2 O | SMILES: | C(C1CC1)(=O)N3CCCc2ccc(cc23)N | InChi: | InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2 | 定義日: | 2020-09-22 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone |
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![P5E P5E](https://data.pdbj.org/pdbjplus/data/cc/svg/P5E.svg) | P5E | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate | 組成式: | C9 H15 N2 O14 P3 S | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O | InChi: | InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-28(21,29)25-27(19,20)24-26(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,29)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-,28+/m1/s1 | 定義日: | 2020-04-15 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate |
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![P72 P72](https://data.pdbj.org/pdbjplus/data/cc/svg/P72.svg) | P72 | 表記: | 4-oxidanylbenzenecarboximidamide | 組成式: | C7 H8 N2 O | SMILES: | NC(=N)c1ccc(O)cc1 | InChi: | InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9) | 定義日: | 2020-04-16 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 4-oxidanylbenzenecarboximidamide |
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![WCS WCS](https://data.pdbj.org/pdbjplus/data/cc/svg/WCS.svg) | WCS | 表記: | 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine | 組成式: | C22 H30 N6 O3 S | SMILES: | c1(ccc(cc1)OCCCN(C)C)c2nc(S(C)(=O)=O)nc(c2)NCCCn3cccn3 | InChi: | InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26) | 定義日: | 2020-10-14 | 最終更新日: | 2020-12-04 | 公開日: | 2020-12-09 | 識別子(ID): | 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine |
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