![2V9 2V9](https://data.pdbj.org/pdbjplus/data/cc/svg/2V9.svg) | 2V9 | Name: | Lestaurtinib | Formula: | C26 H21 N3 O4 | SMILES: | O=C1NCc2c3c4n(c5ccccc53)C3(C)OC(CC3(O)CO)n3c4c(c21)c1ccccc31 | InChi: | InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | Synonyms: | (5S,6S,8R)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one | Definition date: | 2014-02-24 | Last modified: | 2022-12-01 | Release date: | 2014-08-27 | Identifier: | (4bR,5S,6S,8R,8aS)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one |
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![G2E G2E](https://data.pdbj.org/pdbjplus/data/cc/svg/G2E.svg) | G2E | Name: | (7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one | Formula: | C21 H21 N O4 | SMILES: | CCCCCN1C(=O)[C]2(COc3cc4OCOc4cc23)c5ccccc15 | InChi: | InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3/t21-/m1/s1 | Definition date: | 2022-05-03 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | (7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one |
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![G2W G2W](https://data.pdbj.org/pdbjplus/data/cc/svg/G2W.svg) | G2W | Name: | 3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide | Formula: | C22 H22 F N5 O2 | SMILES: | CNC(=O)c1cccc(Nc2nccc(n2)N3CC(C3)Oc4ccc(F)cc4C)c1 | InChi: | InChI=1S/C22H22FN5O2/c1-14-10-16(23)6-7-19(14)30-18-12-28(13-18)20-8-9-25-22(27-20)26-17-5-3-4-15(11-17)21(29)24-2/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H,25,26,27) | Definition date: | 2022-05-03 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide |
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![G4I G4I](https://data.pdbj.org/pdbjplus/data/cc/svg/G4I.svg) | G4I | Name: | (1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid | Formula: | C25 H27 F3 N6 O3 | SMILES: | CC(O)=Nc1cccc(N=C2NC(=NC=N2)N3CCC(CC3)OCc4ccc(OC(F)(F)F)cc4)c1C | InChi: | InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33) | Definition date: | 2022-05-03 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | (1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid |
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![AI0 AI0](https://data.pdbj.org/pdbjplus/data/cc/svg/AI0.svg) | AI0 | Name: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide | Formula: | C17 H14 N2 O2 | SMILES: | Oc1cccc2ccc(C=[N+]([O-])Cc3ccccc3)nc12 | InChi: | InChI=1S/C17H14N2O2/c20-16-8-4-7-14-9-10-15(18-17(14)16)12-19(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2/b19-12- | Synonyms: | (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | Definition date: | 2021-11-26 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 1-(8-oxidanylquinolin-2-yl)-~{N}-(phenylmethyl)methanimine oxide |
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![AI6 AI6](https://data.pdbj.org/pdbjplus/data/cc/svg/AI6.svg) | AI6 | Name: | N-tert-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide | Formula: | C24 H32 N4 O2 | SMILES: | CC(C)(C)[N+]([O-])=Cc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1 | InChi: | InChI=1S/C24H32N4O2/c1-5-12-26-14-16-27(17-15-26)13-7-18-30-22-9-6-8-20-10-11-21(25-23(20)22)19-28(29)24(2,3)4/h1,6,8-11,19H,7,12-18H2,2-4H3/b28-19- | Synonyms: | (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | Definition date: | 2021-11-26 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | ~{N}-~{tert}-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide |
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![AQI AQI](https://data.pdbj.org/pdbjplus/data/cc/svg/AQI.svg) | AQI | Name: | (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone | Formula: | C13 H8 F N O6 | SMILES: | Oc1cc(F)cc(c1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O | InChi: | InChI=1S/C13H8FNO6/c14-8-1-6(2-9(16)5-8)12(18)7-3-10(15(20)21)13(19)11(17)4-7/h1-5,16-17,19H | Synonyms: | (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone | Definition date: | 2021-11-30 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone |
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![EIX EIX](https://data.pdbj.org/pdbjplus/data/cc/svg/EIX.svg) | EIX | Name: | [(2R,3S,5S)-5-[(4R,5R)-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4H-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C10 H17 F N3 O7 P S | SMILES: | C[C]1(F)[CH](S)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N | InChi: | InChI=1S/C10H17FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,8,15,23H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6-,8+,10+/m0/s1 | Definition date: | 2022-04-20 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | [(2~{R},3~{S},5~{S})-5-[(4~{R},5~{R})-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4~{H}-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![KV0 KV0](https://data.pdbj.org/pdbjplus/data/cc/svg/KV0.svg) | KV0 | Name: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid | Formula: | C11 H6 F I2 N O3 | SMILES: | OC(=O)c1cc(I)c(n2ccc(F)c2)c(I)c1O | InChi: | InChI=1S/C11H6FI2NO3/c12-5-1-2-15(4-5)9-7(13)3-6(11(17)18)10(16)8(9)14/h1-4,16H,(H,17,18) | Definition date: | 2022-06-07 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid |
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![KVA KVA](https://data.pdbj.org/pdbjplus/data/cc/svg/KVA.svg) | KVA | Name: | 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid | Formula: | C11 H5 F2 I2 N O3 | SMILES: | OC(=O)c1cc(I)c(n2cc(F)c(F)c2)c(I)c1O | InChi: | InChI=1S/C11H5F2I2NO3/c12-5-2-16(3-6(5)13)9-7(14)1-4(11(18)19)10(17)8(9)15/h1-3,17H,(H,18,19) | Definition date: | 2022-06-07 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid |
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![QAX QAX](https://data.pdbj.org/pdbjplus/data/cc/svg/QAX.svg) | QAX | Name: | 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol | Formula: | C17 H23 N3 O3 | SMILES: | Oc1ncnc2cc(OCCCN3CCCCC3)c(OC)cc21 | InChi: | InChI=1S/C17H23N3O3/c1-22-15-10-13-14(18-12-19-17(13)21)11-16(15)23-9-5-8-20-6-3-2-4-7-20/h10-12H,2-9H2,1H3,(H,18,19,21) | Definition date: | 2022-06-05 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol |
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![QB3 QB3](https://data.pdbj.org/pdbjplus/data/cc/svg/QB3.svg) | QB3 | Name: | 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol | Formula: | C16 H21 N3 O3 | SMILES: | CN1CCC(COc2cc3ncnc(O)c3cc2OC)CC1 | InChi: | InChI=1S/C16H21N3O3/c1-19-5-3-11(4-6-19)9-22-15-8-13-12(7-14(15)21-2)16(20)18-10-17-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18,20) | Definition date: | 2022-06-05 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol |
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![QEU QEU](https://data.pdbj.org/pdbjplus/data/cc/svg/QEU.svg) | QEU | Name: | 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol | Formula: | C18 H26 N4 O3 | SMILES: | COc1cc2c(cc1OC)ncnc2N1CCN(CCCCO)CC1 | InChi: | InChI=1S/C18H26N4O3/c1-24-16-11-14-15(12-17(16)25-2)19-13-20-18(14)22-8-6-21(7-9-22)5-3-4-10-23/h11-13,23H,3-10H2,1-2H3 | Definition date: | 2022-06-07 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol |
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![QIJ QIJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QIJ.svg) | QIJ | Name: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione | Formula: | C7 H7 N5 O2 | SMILES: | O=C1NC2=C(N=CC(=O)N2C)C(N)=N1 | InChi: | InChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14) | Definition date: | 2022-06-12 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione |
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![9NN 9NN](https://data.pdbj.org/pdbjplus/data/cc/svg/9NN.svg) | 9NN | Name: | 4-(aminomethyl)pyridin-2-amine | Formula: | C6 H9 N3 | SMILES: | NCc1ccnc(N)c1 | InChi: | InChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9) | Definition date: | 2021-11-19 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-(aminomethyl)pyridin-2-amine |
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![9OI 9OI](https://data.pdbj.org/pdbjplus/data/cc/svg/9OI.svg) | 9OI | Name: | 1,3-oxazol-4-ylmethanamine | Formula: | C4 H6 N2 O | SMILES: | NCc1cocn1 | InChi: | InChI=1S/C4H6N2O/c5-1-4-2-7-3-6-4/h2-3H,1,5H2 | Definition date: | 2021-11-19 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 1,3-oxazol-4-ylmethanamine |
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![9OX 9OX](https://data.pdbj.org/pdbjplus/data/cc/svg/9OX.svg) | 9OX | Name: | 1,4-oxazepane | Formula: | C5 H11 N O | SMILES: | C1CNCCOC1 | InChi: | InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2 | Definition date: | 2021-11-19 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 1,4-oxazepane |
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![9W9 9W9](https://data.pdbj.org/pdbjplus/data/cc/svg/9W9.svg) | 9W9 | Name: | 3-oxidanylbenzenecarbonitrile | Formula: | C7 H5 N O | SMILES: | Oc1cccc(c1)C#N | InChi: | InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H | Synonyms: | Darunavir | Definition date: | 2021-11-22 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 3-oxidanylbenzenecarbonitrile |
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![P0U P0U](https://data.pdbj.org/pdbjplus/data/cc/svg/P0U.svg) | P0U | Name: | (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one | Formula: | C14 H17 N O3 | SMILES: | COc1cc2C=CN(C)C(=O)[CH](C)c2cc1OC | InChi: | InChI=1S/C14H17NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h5-9H,1-4H3/t9-/m1/s1 | Definition date: | 2022-09-29 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one |
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![A7X A7X](https://data.pdbj.org/pdbjplus/data/cc/svg/A7X.svg) | A7X | Name: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid | Formula: | C17 H14 N2 O3 | SMILES: | CN1C(=O)C(=Cc2ccc(cc2)C(O)=O)c3ccc(N)cc13 | InChi: | InChI=1S/C17H14N2O3/c1-19-15-9-12(18)6-7-13(15)14(16(19)20)8-10-2-4-11(5-3-10)17(21)22/h2-9H,18H2,1H3,(H,21,22)/b14-8+ | Synonyms: | (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid | Definition date: | 2021-11-25 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-[(~{E})-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid |
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![9L6 9L6](https://data.pdbj.org/pdbjplus/data/cc/svg/9L6.svg) | 9L6 | Name: | cyclopropylmethanamine | Formula: | C4 H9 N | SMILES: | NCC1CC1 | InChi: | InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2 | Definition date: | 2021-11-19 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | cyclopropylmethanamine |
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![554 554](https://data.pdbj.org/pdbjplus/data/cc/svg/554.svg) | 554 | Name: | (2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid | Formula: | C12 H20 N2 O7 | SMILES: | O[CH](CCN[CH](CCN1CC[CH]1C(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1 | Definition date: | 2022-02-02 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | (2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid |
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![NWX NWX](https://data.pdbj.org/pdbjplus/data/cc/svg/NWX.svg) | NWX | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C12 H16 N5 O13 P3 | SMILES: | Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)C#N | InChi: | InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1 | Synonyms: | Remdesivir triphosphate | Definition date: | 2022-04-13 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![P3R P3R](https://data.pdbj.org/pdbjplus/data/cc/svg/P3R.svg) | P3R | Name: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one | Formula: | C14 H19 N O3 | SMILES: | COc1cc2CCN(C)C(=O)[CH](C)c2cc1OC | InChi: | InChI=1S/C14H19NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h7-9H,5-6H2,1-4H3/t9-/m1/s1 | Definition date: | 2022-09-30 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one |
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![P4M P4M](https://data.pdbj.org/pdbjplus/data/cc/svg/P4M.svg) | P4M | Name: | 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one | Formula: | C13 H15 N O3 | SMILES: | COc1cc2CC(=O)N(C)C=Cc2cc1OC | InChi: | InChI=1S/C13H15NO3/c1-14-5-4-9-6-11(16-2)12(17-3)7-10(9)8-13(14)15/h4-7H,8H2,1-3H3 | Synonyms: | 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one | Definition date: | 2022-09-30 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one |
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