![JDW JDW](https://data.pdbj.org/pdbjplus/data/cc/svg/JDW.svg) | JDW | Name: | 1-ethyl-2-[(1-ethylquinolin-2-yl)methyl]quinoline | Formula: | C23 H24 N2 | SMILES: | CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc4ccccc14 | InChi: | InChI=1S/C23H24N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-16H,3-4,17H2,1-2H3/q+2 | Definition date: | 2022-04-26 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | 1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methyl]quinolin-1-ium |
|
![K2O K2O](https://data.pdbj.org/pdbjplus/data/cc/svg/K2O.svg) | K2O | Name: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide | Formula: | C13 H23 N5 O4 | SMILES: | C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O | InChi: | InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10-,11-/m1/s1 | Synonyms: | Beta-lactone antibacterial agent (open form) | Definition date: | 2022-05-17 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 6-azido-~{N}-[(2~{R})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide |
|
![VJI VJI](https://data.pdbj.org/pdbjplus/data/cc/svg/VJI.svg) | VJI | Name: | (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine | Formula: | C10 H14 N2 O2 | SMILES: | NCC(N)c1ccc2OCCOc2c1 | InChi: | InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine |
|
![V4C V4C](https://data.pdbj.org/pdbjplus/data/cc/svg/V4C.svg) | V4C | Name: | N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide | Formula: | C11 H19 N3 O2 S | SMILES: | O=S(=O)(c1cn(C)nc1)N(CC(C)C)C1CC1 | InChi: | InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide |
|
![VJO VJO](https://data.pdbj.org/pdbjplus/data/cc/svg/VJO.svg) | VJO | Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide | Formula: | C9 H11 N O4 S | SMILES: | CS(=O)(=O)Nc1ccc2OCCOc2c1 | InChi: | InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide |
|
![VZL VZL](https://data.pdbj.org/pdbjplus/data/cc/svg/VZL.svg) | VZL | Name: | N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide | Formula: | C12 H15 N3 O | SMILES: | CC(=O)NCCc1cn2cccc(C)c2n1 | InChi: | InChI=1S/C12H15N3O/c1-9-4-3-7-15-8-11(14-12(9)15)5-6-13-10(2)16/h3-4,7-8H,5-6H2,1-2H3,(H,13,16) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide |
|
![V4L V4L](https://data.pdbj.org/pdbjplus/data/cc/svg/V4L.svg) | V4L | Name: | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide | Formula: | C14 H22 N2 O | SMILES: | NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1 | InChi: | InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17) | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide |
|
![VZQ VZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VZQ.svg) | VZQ | Name: | 4-[(acetyloxy)methyl]benzoic acid | Formula: | C10 H10 O4 | SMILES: | O=C(O)c1ccc(COC(C)=O)cc1 | InChi: | InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 4-[(acetyloxy)methyl]benzoic acid |
|
![VZU VZU](https://data.pdbj.org/pdbjplus/data/cc/svg/VZU.svg) | VZU | Name: | ethyl (4-aminophenyl)methylcarbamate | Formula: | C10 H14 N2 O2 | SMILES: | Nc1ccc(cc1)N(C)C(=O)OCC | InChi: | InChI=1S/C10H14N2O2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3,11H2,1-2H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | ethyl (4-aminophenyl)methylcarbamate |
|
![W00 W00](https://data.pdbj.org/pdbjplus/data/cc/svg/W00.svg) | W00 | Name: | 2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide | Formula: | C10 H11 F N2 O2 S | SMILES: | O=C(Nc1ccc(F)cc1)CSCC(N)=O | InChi: | InChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide |
|
![W0C W0C](https://data.pdbj.org/pdbjplus/data/cc/svg/W0C.svg) | W0C | Name: | N-(pentan-3-yl)-N'-(pyridin-3-yl)urea | Formula: | C11 H17 N3 O | SMILES: | O=C(Nc1cccnc1)NC(CC)CC | InChi: | InChI=1S/C11H17N3O/c1-3-9(4-2)13-11(15)14-10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H2,13,14,15) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-(pentan-3-yl)-N'-(pyridin-3-yl)urea |
|
![V5C V5C](https://data.pdbj.org/pdbjplus/data/cc/svg/V5C.svg) | V5C | Name: | (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide | Formula: | C11 H13 N3 O S | SMILES: | Cc1nc(/C=C/C(=O)N(C)CCC#N)cs1 | InChi: | InChI=1S/C11H13N3OS/c1-9-13-10(8-16-9)4-5-11(15)14(2)7-3-6-12/h4-5,8H,3,7H2,1-2H3/b5-4+ | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2E)-N-(2-cyanoethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide |
|
![W0H W0H](https://data.pdbj.org/pdbjplus/data/cc/svg/W0H.svg) | W0H | Name: | 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide | Formula: | C11 H14 F N O3 | SMILES: | COCCNC(=O)COc1ccc(F)cc1 | InChi: | InChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide |
|
![VKO VKO](https://data.pdbj.org/pdbjplus/data/cc/svg/VKO.svg) | VKO | Name: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid | Formula: | C13 H15 N O3 | SMILES: | O=C(O)C1(CC1)C(=O)NCc1ccccc1C | InChi: | InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17) | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid |
|
![W0N W0N](https://data.pdbj.org/pdbjplus/data/cc/svg/W0N.svg) | W0N | Name: | N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide | Formula: | C10 H17 N3 O | SMILES: | O=C(NC(C)(C)CCC)c1cc[NH]n1 | InChi: | InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,12,14) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide |
|
![W0R W0R](https://data.pdbj.org/pdbjplus/data/cc/svg/W0R.svg) | W0R | Name: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide | Formula: | C12 H18 N2 O S | SMILES: | O=C(Nc1cccnc1)CCSCC(C)C | InChi: | InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide |
|
![V5O V5O](https://data.pdbj.org/pdbjplus/data/cc/svg/V5O.svg) | V5O | Name: | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid | Formula: | C13 H13 N O3 | SMILES: | O=C(O)/C=C/c1ccc(cc1)N1CCCC1=O | InChi: | InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+ | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid |
|
![VKX VKX](https://data.pdbj.org/pdbjplus/data/cc/svg/VKX.svg) | VKX | Name: | (5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one | Formula: | C13 H16 N2 O | SMILES: | O=C1CCC2(NCCCN12)c1ccccc1 | InChi: | InChI=1S/C13H16N2O/c16-12-7-8-13(11-5-2-1-3-6-11)14-9-4-10-15(12)13/h1-3,5-6,14H,4,7-10H2/t13-/m0/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one |
|
![W0X W0X](https://data.pdbj.org/pdbjplus/data/cc/svg/W0X.svg) | W0X | Name: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid | Formula: | C10 H11 Br O4 S | SMILES: | Brc1cc(CS(=O)(=O)CCC(=O)O)ccc1 | InChi: | InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(H,12,13) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid |
|
![VL8 VL8](https://data.pdbj.org/pdbjplus/data/cc/svg/VL8.svg) | VL8 | Name: | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide | Formula: | C11 H13 Cl2 N O2 | SMILES: | Clc1ccc(OC(CC)C(=O)NC)cc1Cl | InChi: | InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide |
|
![W18 W18](https://data.pdbj.org/pdbjplus/data/cc/svg/W18.svg) | W18 | Name: | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide | Formula: | C11 H16 N2 O2 | SMILES: | O=C(NC(CC)CO)c1ccc(N)cc1 | InChi: | InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide |
|
![VLI VLI](https://data.pdbj.org/pdbjplus/data/cc/svg/VLI.svg) | VLI | Name: | (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one | Formula: | C10 H8 F3 N O2 | SMILES: | FC(F)(F)C1(O)c2ccc(C)cc2NC1=O | InChi: | InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one |
|
![W1E W1E](https://data.pdbj.org/pdbjplus/data/cc/svg/W1E.svg) | W1E | Name: | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate | Formula: | C10 H16 O4 S | SMILES: | O=S1(=O)C=CC(CC(=O)OCC(C)C)C1 | InChi: | InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate |
|
![W1I W1I](https://data.pdbj.org/pdbjplus/data/cc/svg/W1I.svg) | W1I | Name: | N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide | Formula: | C8 H11 Br N2 O2 S | SMILES: | Brc1ccccc1NS(=O)(=O)N(C)C | InChi: | InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide |
|
![W1N W1N](https://data.pdbj.org/pdbjplus/data/cc/svg/W1N.svg) | W1N | Name: | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid | Formula: | C10 H12 F N O2 | SMILES: | Fc1ccccc1CC(N)CC(=O)O | InChi: | InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid |
|