![HUC HUC](https://data.pdbj.org/pdbjplus/data/cc/svg/HUC.svg) | HUC | Name: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine | Formula: | C14 H17 Br Cl N3 | SMILES: | Cl[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 | InChi: | InChI=1S/C14H17BrClN3/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h5-6,8-9,12,17H,1-4,7H2,(H,18,19)/t9-,12-/m0/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine |
|
![G0R G0R](https://data.pdbj.org/pdbjplus/data/cc/svg/G0R.svg) | G0R | Name: | N-(4-carbamimidamidobutyl)ethanamide | Formula: | 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) | Definition date: | 2020-07-14 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-(4-carbamimidamidobutyl)ethanamide |
|
![4OF 4OF](https://data.pdbj.org/pdbjplus/data/cc/svg/4OF.svg) | 4OF | Name: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | Formula: | 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) | Definition date: | 2021-07-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 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 | Name: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | Formula: | 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) | Definition date: | 2021-07-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 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 | Name: | N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide | Formula: | 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) | Definition date: | 2021-06-05 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide |
|
![QP2 QP2](https://data.pdbj.org/pdbjplus/data/cc/svg/QP2.svg) | QP2 | Name: | (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 | Formula: | 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 | Synonyms: | hydrolyzed doripenem | Definition date: | 2020-07-14 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (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 |
|
![2RI 2RI](https://data.pdbj.org/pdbjplus/data/cc/svg/2RI.svg) | 2RI | Name: | (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 | Formula: | 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 | Definition date: | 2021-07-09 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (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 |
|
![2XI 2XI](https://data.pdbj.org/pdbjplus/data/cc/svg/2XI.svg) | 2XI | Name: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide | Formula: | 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 | Definition date: | 2021-07-09 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (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 | Name: | 2,4,6-trimethylpyridine-3-carboxylic acid | Formula: | 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) | Definition date: | 2021-04-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 2,4,6-trimethylpyridine-3-carboxylic acid |
|
![LKH LKH](https://data.pdbj.org/pdbjplus/data/cc/svg/LKH.svg) | LKH | Name: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | Formula: | 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+ | Definition date: | 2019-08-21 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 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 | Name: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid | Formula: | 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) | Definition date: | 2019-08-22 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
|
![B6C B6C](https://data.pdbj.org/pdbjplus/data/cc/svg/B6C.svg) | B6C | Name: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide | Formula: | 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) | Definition date: | 2019-01-17 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide |
|
![TVE TVE](https://data.pdbj.org/pdbjplus/data/cc/svg/TVE.svg) | TVE | Name: | (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 | Formula: | 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 | Definition date: | 2021-01-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (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 | Name: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione | Formula: | 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+ | Synonyms: | Nitrofurantoin | Definition date: | 2021-01-25 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione |
|
![UL5 UL5](https://data.pdbj.org/pdbjplus/data/cc/svg/UL5.svg) | UL5 | Name: | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide | Formula: | 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 | Definition date: | 2021-03-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{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 | Name: | ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide | Formula: | 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 | Definition date: | 2021-03-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{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 | Name: | ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide | Formula: | 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 | Definition date: | 2021-03-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{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 | Name: | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide | Formula: | 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 | Definition date: | 2021-03-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{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 | Name: | ~{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 | Formula: | 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 | Definition date: | 2021-03-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{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 | Name: | 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 | Formula: | 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 | Definition date: | 2021-03-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 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 |
|
![V91 V91](https://data.pdbj.org/pdbjplus/data/cc/svg/V91.svg) | V91 | Name: | N-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide | Formula: | C16 H18 N4 O2 S2 | SMILES: | C(C1CCCN1)(Nc4ccc(C(N2CC(C2)c3nccs3)=O)s4)=O | InChi: | InChI=1S/C16H18N4O2S2/c21-14(11-2-1-5-17-11)19-13-4-3-12(24-13)16(22)20-8-10(9-20)15-18-6-7-23-15/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,19,21)/t11-/m0/s1 | Definition date: | 2020-07-20 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | N-{5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl}-L-prolinamide |
|
![V9Z V9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/V9Z.svg) | V9Z | Name: | N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide | Formula: | C27 H30 N2 O3 | SMILES: | CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)c3cc(C)c(OC)c(C)c3 | InChi: | InChI=1S/C27H30N2O3/c1-19-15-23(16-20(2)26(19)32-4)27(31)29(18-25(30)28-3)17-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,24H,17-18H2,1-4H3,(H,28,30) | Synonyms: | N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)benzamide | Definition date: | 2021-05-03 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide |
|
![VBE VBE](https://data.pdbj.org/pdbjplus/data/cc/svg/VBE.svg) | VBE | Name: | 1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide | Formula: | C20 H25 N3 O3 | SMILES: | CNC(=O)CN(C[CH](C)c1ccccc1)C(=O)C2=CN(C)C(=O)C(=C2)C | InChi: | InChI=1S/C20H25N3O3/c1-14-10-17(12-22(4)19(14)25)20(26)23(13-18(24)21-3)11-15(2)16-8-6-5-7-9-16/h5-10,12,15H,11,13H2,1-4H3,(H,21,24)/t15-/m1/s1 | Synonyms: | 1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide | Definition date: | 2021-05-04 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenylpropyl]pyridine-3-carboxamide |
|
![VBH VBH](https://data.pdbj.org/pdbjplus/data/cc/svg/VBH.svg) | VBH | Name: | N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide | Formula: | C25 H27 N3 O3 | SMILES: | CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)C3=CN(C)C(=O)C(=C3)C | InChi: | InChI=1S/C25H27N3O3/c1-18-14-21(15-27(3)24(18)30)25(31)28(17-23(29)26-2)16-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,16-17H2,1-3H3,(H,26,29) | Synonyms: | N-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide | Definition date: | 2021-05-04 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-(2,2-diphenylethyl)-1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide |
|
![VF2 VF2](https://data.pdbj.org/pdbjplus/data/cc/svg/VF2.svg) | VF2 | Name: | 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline | Formula: | C22 H30 Cl N2 | SMILES: | CN(C)c1ccc(C=Cc2cc[n+](CCCCCCCCl)cc2)cc1 | InChi: | InChI=1S/C22H30ClN2/c1-24(2)22-12-10-20(11-13-22)8-9-21-14-18-25(19-15-21)17-7-5-3-4-6-16-23/h8-15,18-19H,3-7,16-17H2,1-2H3/q+1 | Definition date: | 2021-05-12 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-[(~{E})-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-aniline |
|