![ZQS ZQS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQS.svg) | ZQS | 表記: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | 組成式: | C14 H15 N5 S2 | SMILES: | NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1 | InChi: | InChI=1S/C14H15N5S2/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13/h1-6,10H,7-9H2,(H2,15,18)/t10-,14-/m0/s1 | 定義日: | 2021-05-21 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
|
![ZR7 ZR7](https://data.pdbj.org/pdbjplus/data/cc/svg/ZR7.svg) | ZR7 | 表記: | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide | 組成式: | C22 H20 F2 N8 O2 S | SMILES: | COc1ncc(nc1)C(=O)Nc1cc(c(F)cc1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1 | InChi: | InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 | 定義日: | 2021-05-24 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide |
|
![2RI 2RI](https://data.pdbj.org/pdbjplus/data/cc/svg/2RI.svg) | 2RI | 表記: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide | 組成式: | C30 H26 F N3 O4 | SMILES: | C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3 | InChi: | InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1 | 定義日: | 2021-07-09 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide |
|
![4OF 4OF](https://data.pdbj.org/pdbjplus/data/cc/svg/4OF.svg) | 4OF | 表記: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | 組成式: | C27 H31 Cl F4 N6 O2 S | SMILES: | CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(cn2)C(F)(F)F)cc1F | InChi: | InChI=1S/C27H31ClF4N6O2S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36) | 定義日: | 2021-07-13 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide |
|
![4OW 4OW](https://data.pdbj.org/pdbjplus/data/cc/svg/4OW.svg) | 4OW | 表記: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | 組成式: | C27 H34 Cl F N6 O2 S | SMILES: | CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(C)cn2)cc1F | InChi: | InChI=1S/C27H34ClFN6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33) | 定義日: | 2021-07-13 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide |
|
![0G3 0G3](https://data.pdbj.org/pdbjplus/data/cc/svg/0G3.svg) | 0G3 | 表記: | N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide | 組成式: | C32 H29 F N6 O2 S | SMILES: | CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3cc(ccn3)c4n(C)c(SC)nc4c5ccc(F)cc5)cc2 | InChi: | InChI=1S/C32H29FN6O2S/c1-4-28(40)36-26-7-5-6-22(18-26)31(41)37-25-14-12-24(13-15-25)35-27-19-21(16-17-34-27)30-29(38-32(42-3)39(30)2)20-8-10-23(33)11-9-20/h5-19H,4H2,1-3H3,(H,34,35)(H,36,40)(H,37,41) | 定義日: | 2021-06-05 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide |
|
![2XI 2XI](https://data.pdbj.org/pdbjplus/data/cc/svg/2XI.svg) | 2XI | 表記: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide | 組成式: | C24 H33 N3 O3 | SMILES: | C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C | InChi: | InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1 | 定義日: | 2021-07-09 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide |
|
![FN7 FN7](https://data.pdbj.org/pdbjplus/data/cc/svg/FN7.svg) | FN7 | 表記: | 2,4,6-trimethylpyridine-3-carboxylic acid | 組成式: | C9 H11 N O2 | SMILES: | OC(=O)c1c(C)cc(C)nc1C | InChi: | InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12) | 定義日: | 2021-04-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 2,4,6-trimethylpyridine-3-carboxylic acid |
|
![G0R G0R](https://data.pdbj.org/pdbjplus/data/cc/svg/G0R.svg) | G0R | 表記: | N-(4-carbamimidamidobutyl)ethanamide | 組成式: | C7 H16 N4 O | SMILES: | CC(=O)NCCCCNC(N)=N | InChi: | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | 定義日: | 2020-07-14 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}-(4-carbamimidamidobutyl)ethanamide |
|
![QP2 QP2](https://data.pdbj.org/pdbjplus/data/cc/svg/QP2.svg) | QP2 | 表記: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid | 組成式: | C16 H28 N4 O7 S | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CNC(N)(O)O)C2)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C16H28N4O7S/c1-6-11(10(7(2)21)14(22)23)20-12(15(24)25)13(6)28-9-3-8(18-5-9)4-19-16(17,26)27/h6-11,18-21,26-27H,3-5,17H2,1-2H3,(H,22,23)(H,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | 別名: | hydrolyzed doripenem | 定義日: | 2020-07-14 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
|
![B6C B6C](https://data.pdbj.org/pdbjplus/data/cc/svg/B6C.svg) | B6C | 表記: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide | 組成式: | C18 H16 Cl2 N4 O2 | SMILES: | c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl | InChi: | InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25) | 定義日: | 2019-01-17 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide |
|
![9E0 9E0](https://data.pdbj.org/pdbjplus/data/cc/svg/9E0.svg) | 9E0 | 表記: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid | 組成式: | C12 H11 N O2 S | SMILES: | C[CH]1[CH](Sc2cccc3[nH]cc1c23)C(O)=O | InChi: | InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1 | 定義日: | 2018-03-21 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid |
|
![LKH LKH](https://data.pdbj.org/pdbjplus/data/cc/svg/LKH.svg) | LKH | 表記: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | 組成式: | C16 H11 Cl N4 O2 S | SMILES: | OC(=O)c1ccc(cc1)C=NN2C(=S)NN=C2c3ccc(Cl)cc3 | InChi: | InChI=1S/C16H11ClN4O2S/c17-13-7-5-11(6-8-13)14-19-20-16(24)21(14)18-9-10-1-3-12(4-2-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+ | 定義日: | 2019-08-21 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
|
![LKW LKW](https://data.pdbj.org/pdbjplus/data/cc/svg/LKW.svg) | LKW | 表記: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid | 組成式: | C22 H17 N3 O4 | SMILES: | CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4ccc(cc4)C(O)=O | InChi: | InChI=1S/C22H17N3O4/c1-2-12-3-5-14(6-4-12)19-18-16(22(28)29)11-17(23-20(18)25-24-19)13-7-9-15(10-8-13)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,28,29)(H,23,24,25) | 定義日: | 2019-08-22 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
|
![TVE TVE](https://data.pdbj.org/pdbjplus/data/cc/svg/TVE.svg) | TVE | 表記: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid | 組成式: | C22 H27 N3 O7 S | SMILES: | C[CH](O)[CH](C=O)C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-16,18-19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14?,15-,16?,18-,19-/m1/s1 | 定義日: | 2021-01-13 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | (2~{S},3~{R},4~{R})-3-[(5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
|
![U6Z U6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U6Z.svg) | U6Z | 表記: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione | 組成式: | C8 H6 N4 O5 | SMILES: | O=C1CN(N=Cc2oc(cc2)[N](=O)=O)C(=O)N1 | InChi: | InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+ | 別名: | Nitrofurantoin | 定義日: | 2021-01-25 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione |
|
![UL5 UL5](https://data.pdbj.org/pdbjplus/data/cc/svg/UL5.svg) | UL5 | 表記: | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide | 組成式: | C19 H21 N3 O2 | SMILES: | CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[CH]3C[CH]3C | InChi: | InChI=1S/C19H21N3O2/c1-12-8-16(12)22-18(23)14-10-15(9-13-6-4-3-5-7-13)21-17(11-14)19(24)20-2/h3-7,10-12,16H,8-9H2,1-2H3,(H,20,24)(H,22,23)/t12-,16-/m0/s1 | 定義日: | 2021-03-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
|
![ULE ULE](https://data.pdbj.org/pdbjplus/data/cc/svg/ULE.svg) | ULE | 表記: | ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide | 組成式: | C19 H21 N3 O2 | SMILES: | CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)C(=O)NC3CC3 | InChi: | InChI=1S/C19H21N3O2/c1-12(13-6-4-3-5-7-13)16-10-14(18(23)21-15-8-9-15)11-17(22-16)19(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1 | 定義日: | 2021-03-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
|
![ULH ULH](https://data.pdbj.org/pdbjplus/data/cc/svg/ULH.svg) | ULH | 表記: | ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide | 組成式: | C19 H21 N3 O3 | SMILES: | CNC(=O)C1=CC(=CN([CH](C)c2ccccc2)C1=O)C(=O)NC3CC3 | InChi: | InChI=1S/C19H21N3O3/c1-12(13-6-4-3-5-7-13)22-11-14(17(23)21-15-8-9-15)10-16(19(22)25)18(24)20-2/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m1/s1 | 定義日: | 2021-03-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide |
|
![ULK ULK](https://data.pdbj.org/pdbjplus/data/cc/svg/ULK.svg) | ULK | 表記: | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide | 組成式: | C19 H21 N3 O3 | SMILES: | CNC(=O)c1cc(cc(n1)[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C | InChi: | InChI=1S/C19H21N3O3/c1-11-8-14(11)22-18(24)13-9-15(21-16(10-13)19(25)20-2)17(23)12-6-4-3-5-7-12/h3-7,9-11,14,17,23H,8H2,1-2H3,(H,20,25)(H,22,24)/t11-,14-,17-/m0/s1 | 定義日: | 2021-03-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide |
|
![ULN ULN](https://data.pdbj.org/pdbjplus/data/cc/svg/ULN.svg) | ULN | 表記: | ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide | 組成式: | C21 H23 N3 O3 | SMILES: | CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)C(=O)NC3[CH]4COC[CH]34 | InChi: | InChI=1S/C21H23N3O3/c1-12(13-6-4-3-5-7-13)17-8-14(9-18(23-17)21(26)22-2)20(25)24-19-15-10-27-11-16(15)19/h3-9,12,15-16,19H,10-11H2,1-2H3,(H,22,26)(H,24,25)/t12-,15-,16+,19+/m0/s1 | 定義日: | 2021-03-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide |
|
![ULQ ULQ](https://data.pdbj.org/pdbjplus/data/cc/svg/ULQ.svg) | ULQ | 表記: | 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide | 組成式: | C21 H23 N3 O4 | SMILES: | CNC(=O)c1cc(cc(n1)[CH](OC)c2ccccc2)C(=O)NC3[CH]4COC[CH]34 | InChi: | InChI=1S/C21H23N3O4/c1-22-21(26)17-9-13(20(25)24-18-14-10-28-11-15(14)18)8-16(23-17)19(27-2)12-6-4-3-5-7-12/h3-9,14-15,18-19H,10-11H2,1-2H3,(H,22,26)(H,24,25)/t14-,15+,18+,19-/m0/s1 | 定義日: | 2021-03-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide |
|
![NY8 NY8](https://data.pdbj.org/pdbjplus/data/cc/svg/NY8.svg) | NY8 | 表記: | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine | 組成式: | C31 H40 N6 O2 | SMILES: | COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccc5ccccc5c4)c2cc1OC | InChi: | InChI=1S/C31H40N6O2/c1-36(2)15-7-14-32-31-34-27-20-29(39-4)28(38-3)19-26(27)30(35-31)33-25-12-16-37(17-13-25)21-22-10-11-23-8-5-6-9-24(23)18-22/h5-6,8-11,18-20,25H,7,12-17,21H2,1-4H3,(H2,32,33,34,35) | 定義日: | 2020-01-08 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine |
|
![NZB NZB](https://data.pdbj.org/pdbjplus/data/cc/svg/NZB.svg) | NZB | 表記: | [(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine | 組成式: | C23 H23 F N4 O | SMILES: | CN(C)Cc1[nH]nc2ccc(cc12)c3ccc(F)cc3OCCc4cccnc4 | InChi: | InChI=1S/C23H23FN4O/c1-28(2)15-22-20-12-17(5-8-21(20)26-27-22)19-7-6-18(24)13-23(19)29-11-9-16-4-3-10-25-14-16/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,26,27) | 別名: | 1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine | 定義日: | 2020-01-13 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
|
![NZE NZE](https://data.pdbj.org/pdbjplus/data/cc/svg/NZE.svg) | NZE | 表記: | [(5-{4-fluoro-2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine | 組成式: | C21 H22 F N5 O | SMILES: | CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3OCCn4ccnc4 | InChi: | InChI=1S/C21H22FN5O/c1-26(2)13-20-18-11-15(3-6-19(18)24-25-20)17-5-4-16(22)12-21(17)28-10-9-27-8-7-23-14-27/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,24,25) | 別名: | 1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine | 定義日: | 2020-01-13 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
|