![WNO WNO](https://data.pdbj.org/pdbjplus/data/cc/svg/WNO.svg) | WNO | Name: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine | Formula: | C15 H18 N4 | SMILES: | CCN1CCN[CH]1c2cccc(n2)c3ccccn3 | InChi: | InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1 | Definition date: | 2023-10-09 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine |
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![VPN VPN](https://data.pdbj.org/pdbjplus/data/cc/svg/VPN.svg) | VPN | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | Formula: | C45 H83 Br4 O13 P | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC | InChi: | InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1 | Definition date: | 2023-09-15 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![W4X W4X](https://data.pdbj.org/pdbjplus/data/cc/svg/W4X.svg) | W4X | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O5 | SMILES: | OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4 | InChi: | InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W52 W52](https://data.pdbj.org/pdbjplus/data/cc/svg/W52.svg) | W52 | Name: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4 | InChi: | InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W5E W5E](https://data.pdbj.org/pdbjplus/data/cc/svg/W5E.svg) | W5E | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O6 | SMILES: | Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![Y2W Y2W](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2W.svg) | Y2W | Name: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid | Formula: | C7 H15 N O6 S | SMILES: | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O | InChi: | InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1 | Definition date: | 2023-11-16 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
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![U5D U5D](https://data.pdbj.org/pdbjplus/data/cc/svg/U5D.svg) | U5D | Name: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one | Formula: | C23 H20 N2 O4 | SMILES: | CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O | InChi: | InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3 | Definition date: | 2023-05-17 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one |
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![LVC LVC](https://data.pdbj.org/pdbjplus/data/cc/svg/LVC.svg) | LVC | Name: | 4-(2-oxopropyl)benzoic acid | Formula: | C10 H10 O3 | SMILES: | O=C(C)Cc1ccc(cc1)C(=O)O | InChi: | InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) | Definition date: | 2022-03-04 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-(2-oxopropyl)benzoic acid |
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![LVK LVK](https://data.pdbj.org/pdbjplus/data/cc/svg/LVK.svg) | LVK | Name: | 4-propanoylbenzoic acid | Formula: | C10 H10 O3 | SMILES: | OC(=O)c1ccc(cc1)C(=O)CC | InChi: | InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13) | Definition date: | 2022-03-04 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-propanoylbenzoic acid |
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![4Q8 4Q8](https://data.pdbj.org/pdbjplus/data/cc/svg/4Q8.svg) | 4Q8 | Name: | 5-methyl-1-(phenylmethyl)imidazole | Formula: | C11 H12 N2 | SMILES: | Cc1cncn1Cc2ccccc2 | InChi: | InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3 | Definition date: | 2023-01-09 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-methyl-1-(phenylmethyl)imidazole |
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![F3L F3L](https://data.pdbj.org/pdbjplus/data/cc/svg/F3L.svg) | F3L | Name: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile | Formula: | C17 H16 Cl F N4 O4 S | SMILES: | NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3 | InChi: | InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | Synonyms: | 4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile | Definition date: | 2023-06-27 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile |
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![F9M F9M](https://data.pdbj.org/pdbjplus/data/cc/svg/F9M.svg) | F9M | Name: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Formula: | C25 H23 F3 N8 O S2 | SMILES: | Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 | InChi: | InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+ | Definition date: | 2023-07-04 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
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![FDO FDO](https://data.pdbj.org/pdbjplus/data/cc/svg/FDO.svg) | FDO | Name: | (2~{R})-4-methyl-2-(methylamino)pentanamide | Formula: | C7 H16 N2 O | SMILES: | CN[CH](CC(C)C)C(N)=O | InChi: | InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2~{R})-4-methyl-2-(methylamino)pentanamide |
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![A1AJ8 A1AJ8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJ8.svg) | A1AJ8 | Name: | (3-fluorophenyl)(piperazin-1-yl)methanone | Formula: | C11 H13 F N2 O | SMILES: | O=C(c1cccc(F)c1)N1CCNCC1 | InChi: | InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (3-fluorophenyl)(piperazin-1-yl)methanone |
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![A1AJ9 A1AJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJ9.svg) | A1AJ9 | Name: | 4-methoxy-2-(piperazin-1-yl)pyrimidine | Formula: | C9 H14 N4 O | SMILES: | COc1nc(ncc1)N1CCNCC1 | InChi: | InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-methoxy-2-(piperazin-1-yl)pyrimidine |
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![A1AJQ A1AJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJQ.svg) | A1AJQ | Name: | 4-(piperazin-1-yl)quinoline | Formula: | C13 H15 N3 | SMILES: | c1cc(c2ccccc2n1)N1CCNCC1 | InChi: | InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-(piperazin-1-yl)quinoline |
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![A1AJR A1AJR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJR.svg) | A1AJR | Name: | 1,2,3,4-tetrahydro-1,5-naphthyridine | Formula: | C8 H10 N2 | SMILES: | c1ccnc2CCCNc12 | InChi: | InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 1,2,3,4-tetrahydro-1,5-naphthyridine |
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![A1AJU A1AJU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJU.svg) | A1AJU | Name: | 4-ethenyl-1H-imidazole | Formula: | C5 H6 N2 | SMILES: | C=Cc1c[NH]cn1 | InChi: | InChI=1S/C5H6N2/c1-2-5-3-6-4-7-5/h2-4H,1H2,(H,6,7) | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-ethenyl-1H-imidazole |
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![A1AJV A1AJV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJV.svg) | A1AJV | Name: | 3-ethenyl-1,2-dimethyl-pyrazole | Formula: | C7 H11 N2 | SMILES: | C[n+]1ccc(C=C)n1C | InChi: | InChI=1S/C7H11N2/c1-4-7-5-6-8(2)9(7)3/h4-6H,1H2,2-3H3/q+1 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-ethenyl-1,2-dimethyl-1H-pyrazol-2-ium |
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![A1AJY A1AJY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJY.svg) | A1AJY | Name: | 3-ethenyl-1-methyl-pyridine | Formula: | C8 H10 N | SMILES: | C[n+]1cccc(C=C)c1 | InChi: | InChI=1S/C8H10N/c1-3-8-5-4-6-9(2)7-8/h3-7H,1H2,2H3/q+1 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 3-ethenyl-1-methylpyridin-1-ium |
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![A1AJZ A1AJZ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJZ.svg) | A1AJZ | Name: | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one | Formula: | C6 H10 N2 O2 | SMILES: | OCCC=1C(=O)NNC=1C | InChi: | InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10) | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one |
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![A1AKA A1AKA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKA.svg) | A1AKA | Name: | (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine | Formula: | C7 H11 N3 | SMILES: | Cc1cnn2CCNCc12 | InChi: | InChI=1S/C7H11N3/c1-6-4-9-10-3-2-8-5-7(6)10/h4,8H,2-3,5H2,1H3 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine |
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![A1AKB A1AKB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKB.svg) | A1AKB | Name: | N,N-dimethylpiperazine-1-carboxamide | Formula: | C7 H15 N3 O | SMILES: | O=C(N(C)C)N1CCNCC1 | InChi: | InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | N,N-dimethylpiperazine-1-carboxamide |
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![A1AOE A1AOE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AOE.svg) | A1AOE | Name: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol | Formula: | C15 H21 F3 N2 O2 | SMILES: | OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F | InChi: | InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol |
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![A1AOF A1AOF](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AOF.svg) | A1AOF | Name: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol | Formula: | C14 H18 Cl2 N2 O2 | SMILES: | Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21 | InChi: | InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol |
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