![EN4 EN4](https://data.pdbj.org/pdbjplus/data/cc/svg/EN4.svg) | EN4 | 表記: | [cyclopentyl(hydroxy)amino](oxo)acetic acid | 組成式: | C7 H11 N O4 | SMILES: | C(C(=O)N(C1CCCC1)O)(O)=O | InChi: | InChI=1S/C7H11NO4/c9-6(7(10)11)8(12)5-3-1-2-4-5/h5,12H,1-4H2,(H,10,11) | 定義日: | 2018-01-22 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | [cyclopentyl(hydroxy)amino](oxo)acetic acid |
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![F5S F5S](https://data.pdbj.org/pdbjplus/data/cc/svg/F5S.svg) | F5S | 表記: | (1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one | 組成式: | C26 H27 N O7 | SMILES: | C2/C(C=CC=CC1C(O1)CC(OC(c3c(O)cc(cc23)O)=O)C)=NOCc4ccc(OC)cc4 | InChi: | InChI=1S/C26H27NO7/c1-16-11-24-23(34-24)6-4-3-5-19(27-32-15-17-7-9-21(31-2)10-8-17)12-18-13-20(28)14-22(29)25(18)26(30)33-16/h3-10,13-14,16,23-24,28-29H,11-12,15H2,1-2H3/b5-3+,6-4-,27-19-/t16-,23-,24-/m1/s1 | 定義日: | 2018-03-01 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | (1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one |
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![F9E F9E](https://data.pdbj.org/pdbjplus/data/cc/svg/F9E.svg) | F9E | 表記: | [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate | 組成式: | C14 H22 N6 O5 | SMILES: | CC(C)[CH](N)C(=O)OC[CH](CO)OCn1cnc2C(=O)N=C(N)Nc12 | InChi: | InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8-,9-/m0/s1 | 定義日: | 2018-06-13 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate |
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![HR5 HR5](https://data.pdbj.org/pdbjplus/data/cc/svg/HR5.svg) | HR5 | 表記: | ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide | 組成式: | C11 H17 N3 O | SMILES: | Cn1ncc(C(=O)NCC2CCC2)c1C | InChi: | InChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15) | 定義日: | 2018-12-17 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide |
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![HR8 HR8](https://data.pdbj.org/pdbjplus/data/cc/svg/HR8.svg) | HR8 | 表記: | 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide | 組成式: | C12 H16 Cl N O2 | SMILES: | COc1ccc(Cl)cc1C(=O)NCC(C)C | InChi: | InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15) | 定義日: | 2018-12-17 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide |
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![J0T J0T](https://data.pdbj.org/pdbjplus/data/cc/svg/J0T.svg) | J0T | 表記: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol | 組成式: | C25 H26 F2 N6 O5 S | SMILES: | OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5 | InChi: | InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21-,22+,23+,24-,25+/m1/s1 | 定義日: | 2019-01-11 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol |
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![J1E J1E](https://data.pdbj.org/pdbjplus/data/cc/svg/J1E.svg) | J1E | 表記: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol | 組成式: | C25 H26 F2 N6 O5 S | SMILES: | OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5 | InChi: | InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21+,22-,23-,24+,25-/m0/s1 | 定義日: | 2019-01-11 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol |
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![KJS KJS](https://data.pdbj.org/pdbjplus/data/cc/svg/KJS.svg) | KJS | 表記: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole | 組成式: | C29 H36 N4 O3 | SMILES: | c1c(ccc(c1)CCc4n(c2c(cc(cc2)c3c(noc3C)C)n4)CCN5CCOCC5)OCCC | InChi: | InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3 | 定義日: | 2018-12-19 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole |
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![KKM KKM](https://data.pdbj.org/pdbjplus/data/cc/svg/KKM.svg) | KKM | 表記: | 7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide | 組成式: | C16 H16 N4 O3 | SMILES: | c1ccccc1c3cc(O)n2c(c(cn2)C(NC(CO)C)=O)n3 | InChi: | InChI=1S/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/m0/s1 | 定義日: | 2018-12-27 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![KKP KKP](https://data.pdbj.org/pdbjplus/data/cc/svg/KKP.svg) | KKP | 表記: | 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide | 組成式: | C14 H12 N4 O2 | SMILES: | c3c(c2cc(O)n1c(c(cn1)C(NC)=O)n2)cccc3 | InChi: | InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,15,20) | 定義日: | 2018-12-27 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![FK2 FK2](https://data.pdbj.org/pdbjplus/data/cc/svg/FK2.svg) | FK2 | 表記: | 3-oxidanylidenepropanoic acid | 組成式: | C3 H4 O3 | SMILES: | OC(=O)CC=O | InChi: | InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6) | 定義日: | 2018-07-14 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 3-oxidanylidenepropanoic acid |
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![JRY JRY](https://data.pdbj.org/pdbjplus/data/cc/svg/JRY.svg) | JRY | 表記: | hexylcarbamic acid | 組成式: | C7 H15 N O2 | SMILES: | C(=O)(NCCCCCC)O | InChi: | InChI=1S/C7H15NO2/c1-2-3-4-5-6-8-7(9)10/h8H,2-6H2,1H3,(H,9,10) | 定義日: | 2018-09-19 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | hexylcarbamic acid |
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![JVY JVY](https://data.pdbj.org/pdbjplus/data/cc/svg/JVY.svg) | JVY | 表記: | N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide | 組成式: | C19 H21 N3 O3 S | SMILES: | c21ncccc1c(cc(c2)c3c(C)onc3C)S(NC4CCCC4)(=O)=O | InChi: | InChI=1S/C19H21N3O3S/c1-12-19(13(2)25-21-12)14-10-17-16(8-5-9-20-17)18(11-14)26(23,24)22-15-6-3-4-7-15/h5,8-11,15,22H,3-4,6-7H2,1-2H3 | 定義日: | 2018-10-05 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide |
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![JW4 JW4](https://data.pdbj.org/pdbjplus/data/cc/svg/JW4.svg) | JW4 | 表記: | 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole | 組成式: | C25 H22 N4 O | SMILES: | c3(cc2nc(C1CC1)nc2c(c3)c5c4cccnc4ccc5C)c6c(C)noc6C | InChi: | InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | 定義日: | 2018-10-05 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methylquinoline |
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![JWA JWA](https://data.pdbj.org/pdbjplus/data/cc/svg/JWA.svg) | JWA | 表記: | N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide | 組成式: | C19 H25 N3 O4 S | SMILES: | c1c(c(ccc1c2c(noc2CNC(=O)C)C)C)S(=O)(=O)NC3CCCC3 | InChi: | InChI=1S/C19H25N3O4S/c1-12-8-9-15(19-13(2)21-26-17(19)11-20-14(3)23)10-18(12)27(24,25)22-16-6-4-5-7-16/h8-10,16,22H,4-7,11H2,1-3H3,(H,20,23) | 定義日: | 2018-10-05 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide |
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![JWD JWD](https://data.pdbj.org/pdbjplus/data/cc/svg/JWD.svg) | JWD | 表記: | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline | 組成式: | C19 H17 N3 O2 | SMILES: | c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C | InChi: | InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3 | 定義日: | 2018-10-05 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline |
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![K9A K9A](https://data.pdbj.org/pdbjplus/data/cc/svg/K9A.svg) | K9A | 表記: | 5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine | 組成式: | C19 H22 N8 | SMILES: | Nc1ncc(c(n1)N)N2CCN(CC2)c3cc(ccc3)c4cnc(nc4)C | InChi: | InChI=1S/C19H22N8/c1-13-22-10-15(11-23-13)14-3-2-4-16(9-14)26-5-7-27(8-6-26)17-12-24-19(21)25-18(17)20/h2-4,9-12H,5-8H2,1H3,(H4,20,21,24,25) | 定義日: | 2018-11-12 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine |
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![H5H H5H](https://data.pdbj.org/pdbjplus/data/cc/svg/H5H.svg) | H5H | 表記: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | 組成式: | C22 H22 F4 N4 O4 S | SMILES: | CNc1c(F)c(F)c(c(F)c1F)c2cn(nn2)[CH]3[CH](O)[CH](CO)O[CH](Sc4ccc(C)cc4)[CH]3O | InChi: | InChI=1S/C22H22F4N4O4S/c1-9-3-5-10(6-4-9)35-22-21(33)19(20(32)12(8-31)34-22)30-7-11(28-29-30)13-14(23)16(25)18(27-2)17(26)15(13)24/h3-7,12,19-22,27,31-33H,8H2,1-2H3/t12-,19+,20+,21-,22+/m1/s1 | 定義日: | 2018-11-16 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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![H5N H5N](https://data.pdbj.org/pdbjplus/data/cc/svg/H5N.svg) | H5N | 表記: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | 組成式: | C21 H18 F4 N6 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(N=[N+]=[N-])c(F)c4F)cc1 | InChi: | InChI=1S/C21H18F4N6O4S/c1-8-2-4-9(5-3-8)36-21-20(34)18(19(33)11(7-32)35-21)31-6-10(27-30-31)12-13(22)15(24)17(28-29-26)16(25)14(12)23/h2-6,11,18-21,32-34H,7H2,1H3/t11-,18+,19+,20-,21+/m1/s1 | 定義日: | 2018-11-16 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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![H5Q H5Q](https://data.pdbj.org/pdbjplus/data/cc/svg/H5Q.svg) | H5Q | 表記: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol | 組成式: | C21 H20 F4 N4 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(N)c(F)c4F)cc1 | InChi: | InChI=1S/C21H20F4N4O4S/c1-8-2-4-9(5-3-8)34-21-20(32)18(19(31)11(7-30)33-21)29-6-10(27-28-29)12-13(22)15(24)17(26)16(25)14(12)23/h2-6,11,18-21,30-32H,7,26H2,1H3/t11-,18+,19+,20-,21+/m1/s1 | 定義日: | 2018-11-16 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol |
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![H5T H5T](https://data.pdbj.org/pdbjplus/data/cc/svg/H5T.svg) | H5T | 表記: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | 組成式: | C21 H19 F4 N3 O5 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(O)c(F)c4F)cc1 | InChi: | InChI=1S/C21H19F4N3O5S/c1-8-2-4-9(5-3-8)34-21-20(32)17(18(30)11(7-29)33-21)28-6-10(26-27-28)12-13(22)15(24)19(31)16(25)14(12)23/h2-6,11,17-18,20-21,29-32H,7H2,1H3/t11-,17+,18+,20-,21+/m1/s1 | 定義日: | 2018-11-16 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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![H5Z H5Z](https://data.pdbj.org/pdbjplus/data/cc/svg/H5Z.svg) | H5Z | 表記: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | 組成式: | C21 H18 F5 N3 O4 S | SMILES: | Cc1ccc(S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4c(F)c(F)c(F)c(F)c4F)cc1 | InChi: | InChI=1S/C21H18F5N3O4S/c1-8-2-4-9(5-3-8)34-21-20(32)18(19(31)11(7-30)33-21)29-6-10(27-28-29)12-13(22)15(24)17(26)16(25)14(12)23/h2-6,11,18-21,30-32H,7H2,1H3/t11-,18+,19+,20-,21+/m1/s1 | 定義日: | 2018-11-16 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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![H8W H8W](https://data.pdbj.org/pdbjplus/data/cc/svg/H8W.svg) | H8W | 表記: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid | 組成式: | C23 H27 N3 O2 | SMILES: | CC(C)CN1CCc2c(ccc3[nH]ncc23)[CH]1c4ccc(CCC(O)=O)cc4 | InChi: | InChI=1S/C23H27N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-4,6-9,13,15,23H,5,10-12,14H2,1-2H3,(H,24,25)(H,27,28)/t23-/m1/s1 | 定義日: | 2018-11-27 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid |
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![H9Z H9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/H9Z.svg) | H9Z | 表記: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide | 組成式: | C29 H29 N7 O | SMILES: | CN1CCC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5 | InChi: | InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37)/t21-/m0/s1 | 定義日: | 2018-12-03 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide |
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![HAK HAK](https://data.pdbj.org/pdbjplus/data/cc/svg/HAK.svg) | HAK | 表記: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide | 組成式: | C27 H20 N8 O | SMILES: | Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)Nc5cncnc5)cc6nccnc36 | InChi: | InChI=1S/C27H20N8O/c1-35-9-5-17-2-3-18(10-25(17)35)22-11-19(12-23-26(22)32-8-7-31-23)33-24-15-28-6-4-21(24)27(36)34-20-13-29-16-30-14-20/h2-16,33H,1H3,(H,34,36) | 定義日: | 2018-12-03 | 最終更新日: | 2019-01-18 | 公開日: | 2019-01-23 | 識別子(ID): | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide |
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