![UYX UYX](https://data.pdbj.org/pdbjplus/data/cc/svg/UYX.svg) | UYX | Name: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione | Formula: | C22 H22 F N3 O3 | SMILES: | Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O | InChi: | InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | Definition date: | 2023-06-27 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione |
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![UO6 UO6](https://data.pdbj.org/pdbjplus/data/cc/svg/UO6.svg) | UO6 | Name: | 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid | Formula: | C14 H14 N3 O12 P S2 | SMILES: | Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O)=O)c(CO[P](O)(O)=O)c(C=O)c1O | InChi: | InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+ | Synonyms: | Ppads | Definition date: | 2023-06-10 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-[(~{E})-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid |
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![V3C V3C](https://data.pdbj.org/pdbjplus/data/cc/svg/V3C.svg) | V3C | Name: | Trans-4-athyl-L-proline | Formula: | C7 H13 N O2 | SMILES: | CC[CH]1CN[CH](C1)C(O)=O | InChi: | InChI=1S/C7H13NO2/c1-2-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1 | Synonyms: | (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid | Definition date: | 2023-02-21 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (2~{S},4~{R})-4-ethylpyrrolidine-2-carboxylic acid |
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![YWK YWK](https://data.pdbj.org/pdbjplus/data/cc/svg/YWK.svg) | YWK | Name: | pentafluoropropanoic acid | Formula: | C3 H F5 O2 | SMILES: | FC(F)(F)C(F)(F)C(=O)O | InChi: | InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) | Definition date: | 2023-06-22 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | pentafluoropropanoic acid |
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![VLF VLF](https://data.pdbj.org/pdbjplus/data/cc/svg/VLF.svg) | VLF | Name: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide | Formula: | C17 H19 N O4 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO | InChi: | InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1 | Definition date: | 2023-03-15 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide |
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![X1B X1B](https://data.pdbj.org/pdbjplus/data/cc/svg/X1B.svg) | X1B | Name: | {(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetaldehyde | Formula: | C18 H19 N5 O4 | SMILES: | O=C1C(/N=C(C(N)Cc2cncn2C)N1CC(O)=O)=C/c1ccc(O)cc1 | InChi: | InChI=1S/C18H19N5O4/c1-22-10-20-8-12(22)7-14(19)17-21-15(18(27)23(17)9-16(25)26)6-11-2-4-13(24)5-3-11/h2-6,8,10,14,24H,7,9,19H2,1H3,(H,25,26)/b15-6-/t14-/m0/s1 | Synonyms: | CHROMOPHORE (N1-METHYLATED HIS-TYR-GLY) | Definition date: | 2023-10-18 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | {(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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![XI3 XI3](https://data.pdbj.org/pdbjplus/data/cc/svg/XI3.svg) | XI3 | Name: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide | Formula: | C27 H25 F N6 O S | SMILES: | Cc1ccc(cc1F)n1cc2c(n1)ncnc2N1CCCC(C1)C(=O)NCc1cc2ccsc2cc1 | InChi: | InChI=1S/C27H25FN6OS/c1-17-4-6-21(12-23(17)28)34-15-22-25(32-34)30-16-31-26(22)33-9-2-3-20(14-33)27(35)29-13-18-5-7-24-19(11-18)8-10-36-24/h4-8,10-12,15-16,20H,2-3,9,13-14H2,1H3,(H,29,35)/t20-/m0/s1 | Definition date: | 2022-11-21 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide |
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![XJ5 XJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/XJ5.svg) | XJ5 | Name: | [(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone | Formula: | C25 H36 N2 O | SMILES: | CC1(C)CN(CCC1N)C(=O)C12CC3CC(CC(C)(C3)C1)(C2)c1ccccc1 | InChi: | InChI=1S/C25H36N2O/c1-22(2)17-27(10-9-20(22)26)21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19/h4-8,18,20H,9-17,26H2,1-3H3/t18-,20-,23+,24+,25-/m0/s1 | Definition date: | 2022-11-22 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | [(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone |
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![SQT SQT](https://data.pdbj.org/pdbjplus/data/cc/svg/SQT.svg) | SQT | Name: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | Formula: | C16 H19 N5 | SMILES: | N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1 | InChi: | InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide |
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![SW9 SW9](https://data.pdbj.org/pdbjplus/data/cc/svg/SW9.svg) | SW9 | Name: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione | Formula: | C10 H17 N O2 S | SMILES: | O=S1(=O)CCC(CC1)N(C)C=C=CC | InChi: | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione |
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![SX9 SX9](https://data.pdbj.org/pdbjplus/data/cc/svg/SX9.svg) | SX9 | Name: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one | Formula: | C15 H20 N2 O | SMILES: | O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1 | InChi: | InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+ | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one |
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![SY3 SY3](https://data.pdbj.org/pdbjplus/data/cc/svg/SY3.svg) | SY3 | Name: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide | Formula: | C13 H11 F N2 O | SMILES: | O=C(Nc1cc(F)ccc1C)c1ccncc1 | InChi: | InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide |
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![SYX SYX](https://data.pdbj.org/pdbjplus/data/cc/svg/SYX.svg) | SYX | Name: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone | Formula: | C10 H18 N2 O2 | SMILES: | O=C(N1CCN(C)CC1)C1CCCO1 | InChi: | InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone |
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![SZX SZX](https://data.pdbj.org/pdbjplus/data/cc/svg/SZX.svg) | SZX | Name: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide | Formula: | C10 H12 N2 O3 | SMILES: | O=C(Nc1ccccn1)C1COCCO1 | InChi: | InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide |
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![T7B T7B](https://data.pdbj.org/pdbjplus/data/cc/svg/T7B.svg) | T7B | Name: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | Formula: | C11 H10 N2 O2 | SMILES: | O=C1NC(=O)NC21CCc1ccccc12 | InChi: | InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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![T7L T7L](https://data.pdbj.org/pdbjplus/data/cc/svg/T7L.svg) | T7L | Name: | 2-phenyl-1,3-thiazole-5-carboxylic acid | Formula: | C10 H7 N O2 S | SMILES: | O=C(O)c1cnc(s1)c1ccccc1 | InChi: | InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-phenyl-1,3-thiazole-5-carboxylic acid |
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![T7U T7U](https://data.pdbj.org/pdbjplus/data/cc/svg/T7U.svg) | T7U | Name: | N-cyclopropyl-2-hydroxybenzamide | Formula: | C10 H11 N O2 | SMILES: | O=C(NC1CC1)c1ccccc1O | InChi: | InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | N-cyclopropyl-2-hydroxybenzamide |
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![T89 T89](https://data.pdbj.org/pdbjplus/data/cc/svg/T89.svg) | T89 | Name: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone | Formula: | C13 H17 N O2 | SMILES: | O=C(c1ccccc1)N1CCC(CO)CC1 | InChi: | InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone |
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![T9X T9X](https://data.pdbj.org/pdbjplus/data/cc/svg/T9X.svg) | T9X | Name: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole | Formula: | C9 H15 N3 O | SMILES: | CC(C)c1nc(no1)C1NCCC1 | InChi: | InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole |
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![TE0 TE0](https://data.pdbj.org/pdbjplus/data/cc/svg/TE0.svg) | TE0 | Name: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid | Formula: | C8 H15 N O4 S | SMILES: | O=S(=O)(CC)N1CCC(CC1)C(=O)O | InChi: | InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid |
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![TI6 TI6](https://data.pdbj.org/pdbjplus/data/cc/svg/TI6.svg) | TI6 | Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | Formula: | C8 H17 N O3 S | SMILES: | CC1CCCN(C1CO)S(=O)(C)=O | InChi: | InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
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![TJ0 TJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/TJ0.svg) | TJ0 | Name: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one | Formula: | C12 H11 F3 N2 O2 | SMILES: | O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F | InChi: | InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
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![TKI TKI](https://data.pdbj.org/pdbjplus/data/cc/svg/TKI.svg) | TKI | Name: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid | Formula: | C10 H16 N4 O2 | SMILES: | CCc1nc(CC)nc(n1)N(C)CC(O)=O | InChi: | InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16) | Synonyms: | 2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor) | Definition date: | 2023-01-06 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid |
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![TKM TKM](https://data.pdbj.org/pdbjplus/data/cc/svg/TKM.svg) | TKM | Name: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid | Formula: | C9 H12 N2 O3 | SMILES: | O=C(O)c1ccnn1C1CCOCC1 | InChi: | InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid |
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![TM0 TM0](https://data.pdbj.org/pdbjplus/data/cc/svg/TM0.svg) | TM0 | Name: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine | Formula: | C11 H13 N3 O | SMILES: | CC(N)c1nc(Cc2ccccc2)no1 | InChi: | InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine |
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