![HQO HQO](https://data.pdbj.org/pdbjplus/data/cc/svg/HQO.svg) | HQO | Name: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE | Formula: | C16 H21 N O2 | SMILES: | [O-][n+]2c1ccccc1c(O)cc2CCCCCCC | InChi: | InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3 | Synonyms: | 2-HEPTYL-1-OXY-QUINOLIN-4-OL | Definition date: | 2001-11-28 | Last modified: | 2021-03-01 | Identifier: | 2-heptylquinolin-4-ol 1-oxide |
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![HQY HQY](https://data.pdbj.org/pdbjplus/data/cc/svg/HQY.svg) | HQY | Name: | quinolin-8-ol | Formula: | C9 H7 N O | SMILES: | Oc1cccc2cccnc12 | InChi: | InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H | Synonyms: | 8-hydroxyquinoline | Definition date: | 2009-10-28 | Last modified: | 2021-03-01 | Identifier: | quinolin-8-ol |
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![HT6 HT6](https://data.pdbj.org/pdbjplus/data/cc/svg/HT6.svg) | HT6 | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol | Formula: | C18 H29 N5 O S | SMILES: | OC1C(CSCCCCCC)CN(C1)Cc2cnc3c2ncnc3N | InChi: | InChI=1S/C18H29N5OS/c1-2-3-4-5-6-25-11-14-9-23(10-15(14)24)8-13-7-20-17-16(13)21-12-22-18(17)19/h7,12,14-15,20,24H,2-6,8-11H2,1H3,(H2,19,21,22)/t14-,15+/m1/s1 | Synonyms: | Hexylthio-DADMe-Immucillin-A | Definition date: | 2017-09-11 | Last modified: | 2021-03-01 | Release date: | 2018-09-12 | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol |
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![FQC FQC](https://data.pdbj.org/pdbjplus/data/cc/svg/FQC.svg) | FQC | Name: | 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one | Formula: | C16 H8 Cl2 F N5 O | SMILES: | Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)c4ccc(Cl)cc4Cl | InChi: | InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H | Synonyms: | Fluquinconazole | Definition date: | 2015-10-20 | Last modified: | 2021-03-01 | Release date: | 2016-02-10 | Identifier: | 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one |
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![FU9 FU9](https://data.pdbj.org/pdbjplus/data/cc/svg/FU9.svg) | FU9 | Name: | 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid | Formula: | C22 H16 F3 N5 O2 | SMILES: | FC(F)(F)c1cc(ccc1)Nc5nc2cc(C(=O)O)ccc2c3c5nc(nc3)NC4CC4 | InChi: | InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30) | Synonyms: | CX-5279 | Definition date: | 2011-03-21 | Last modified: | 2021-03-01 | Identifier: | 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid |
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![I52 I52](https://data.pdbj.org/pdbjplus/data/cc/svg/I52.svg) | I52 | Name: | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE | Formula: | C29 H42 N4 O6 S | SMILES: | O=C(c1ccc(cc1)CCCCC)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(=O)NO)C(C)C | InChi: | InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1 | Synonyms: | SC-74020 | Definition date: | 2000-12-19 | Last modified: | 2021-03-01 | Identifier: | N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide |
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![I5I I5I](https://data.pdbj.org/pdbjplus/data/cc/svg/I5I.svg) | I5I | Name: | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole | Formula: | C12 H9 N3 O S | SMILES: | S=C=Nc3cc1c(oc(c1)C2=NCCN2)cc3 | InChi: | InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14) | Synonyms: | 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran | Definition date: | 2010-12-21 | Last modified: | 2021-03-01 | Identifier: | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole |
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![IDE IDE](https://data.pdbj.org/pdbjplus/data/cc/svg/IDE.svg) | IDE | Name: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | Formula: | C15 H19 N3 O4 | SMILES: | OC2c1nc(cn1C(C(O)C2O)CO)CNc3ccccc3 | InChi: | InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14-/m1/s1 | Synonyms: | ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE | Definition date: | 2005-05-11 | Last modified: | 2021-03-01 | Identifier: | (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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![4HX 4HX](https://data.pdbj.org/pdbjplus/data/cc/svg/4HX.svg) | 4HX | Name: | (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE | Formula: | C11 H22 N8 O5 | SMILES: | O=C(N)C1NCC(N(O)C(=O)C(N)CCCNC(=[N@H])N[N+]([O-])=O)C1 | InChi: | InChI=1S/C11H22N8O5/c12-7(2-1-3-15-11(14)17-19(23)24)10(21)18(22)6-4-8(9(13)20)16-5-6/h6-8,16,22H,1-5,12H2,(H2,13,20)(H3,14,15,17)/t6-,7+,8+/m1/s1 | Synonyms: | 4-N-(NW-NITRO-L-ARGININYL)-TRANS-4-HYDROXYAMINO-L-PROLINE AMIDE | Definition date: | 2006-08-07 | Last modified: | 2021-03-01 | Identifier: | (4R)-4-{hydroxy[N~5~-(N-nitrocarbamimidoyl)-L-ornithyl]amino}-L-prolinamide |
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![IMG IMG](https://data.pdbj.org/pdbjplus/data/cc/svg/IMG.svg) | IMG | Name: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL | Formula: | C11 H15 N5 O4 | SMILES: | O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N | InChi: | InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1 | Synonyms: | IMMUCILLIN-G | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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![IQB IQB](https://data.pdbj.org/pdbjplus/data/cc/svg/IQB.svg) | IQB | Name: | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE | Formula: | C20 H20 Br N3 O2 S | SMILES: | Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3 | InChi: | InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | Synonyms: | H-89 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide |
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![DCJ DCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DCJ.svg) | DCJ | Name: | N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM | Formula: | C14 H18 N5 O5 | SMILES: | O=C(O)c1nc(cc(c1)n2nnc(c2)C[N+](CCO)(C)C)C(=O)O | InChi: | InChI=1S/C14H17N5O5/c1-19(2,3-4-20)8-9-7-18(17-16-9)10-5-11(13(21)22)15-12(6-10)14(23)24/h5-7,20H,3-4,8H2,1-2H3,(H-,21,22,23,24)/p+1 | Synonyms: | HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE | Definition date: | 2012-09-14 | Last modified: | 2021-03-01 | Release date: | 2012-11-09 | Identifier: | N-{[1-(2,6-dicarboxypyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium |
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![DJO DJO](https://data.pdbj.org/pdbjplus/data/cc/svg/DJO.svg) | DJO | Name: | (phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate | Formula: | C17 H17 N O3 | SMILES: | OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3 | InChi: | InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1 | Synonyms: | Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate | Definition date: | 2019-08-02 | Last modified: | 2021-03-01 | Release date: | 2020-03-25 | Identifier: | (phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate |
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![AUI AUI](https://data.pdbj.org/pdbjplus/data/cc/svg/AUI.svg) | AUI | Name: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one | Formula: | C25 H33 N O2 | SMILES: | O=C2c1c(cccc1)NC(=C2CC=C(/C)CCC=C(/C)CC(O)C=C(/C)C)C | InChi: | InChI=1S/C25H33NO2/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26-24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27H,8-9,14,16H2,1-5H3,(H,26,28)/b18-13+,19-10+/t21-/m0/s1 | Synonyms: | Dehydroxy-aurachin RE | Definition date: | 2013-07-29 | Last modified: | 2021-03-01 | Release date: | 2014-01-01 | Identifier: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one |
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![IVV IVV](https://data.pdbj.org/pdbjplus/data/cc/svg/IVV.svg) | IVV | Name: | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide | Formula: | C24 H46 N3 O7 P | SMILES: | O=P(O)(C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)CC(=O)OCC | InChi: | InChI=1S/C24H46N3O7P/c1-10-34-20(29)13-35(32,33)19(12-15(4)5)26-23(30)22(17(8)9)27-24(31)21(16(6)7)25-18(28)11-14(2)3/h14-17,19,21-22H,10-13H2,1-9H3,(H,25,28)(H,26,30)(H,27,31)(H,32,33)/t19-,21+,22+/m1/s1 | Synonyms: | PHOSPHINIC ACID ANALOGUE OF STATIN (IVA)-VAL-VAL-STA(P)-O-ET | Definition date: | 2010-10-28 | Last modified: | 2021-03-01 | Identifier: | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide |
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![T4N T4N](https://data.pdbj.org/pdbjplus/data/cc/svg/T4N.svg) | T4N | Name: | ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide | Formula: | C13 H16 N2 O3 S | SMILES: | COc1ccc(NC(=O)C[CH]2SCCNC2=O)cc1 | InChi: | InChI=1S/C13H16N2O3S/c1-18-10-4-2-9(3-5-10)15-12(16)8-11-13(17)14-6-7-19-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1 | Definition date: | 2020-12-14 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide |
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![PJT PJT](https://data.pdbj.org/pdbjplus/data/cc/svg/PJT.svg) | PJT | Name: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one | Formula: | C20 H21 N3 O3 S | SMILES: | Cc1sc2N=C3N(CC[C]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5 | InChi: | InChI=1S/C20H21N3O3S/c1-13-12-16-17(24)20(25)6-7-23(19(20)21-18(16)27-13)15-4-2-14(3-5-15)22-8-10-26-11-9-22/h2-5,12,25H,6-11H2,1H3/t20-/m1/s1 | Definition date: | 2020-04-23 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one |
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![G4C G4C](https://data.pdbj.org/pdbjplus/data/cc/svg/G4C.svg) | G4C | Name: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone | Formula: | C24 H29 Cl2 N O3 | SMILES: | C[CH]1N([CH](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl | InChi: | InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1 | Definition date: | 2020-07-21 | Last modified: | 2021-02-26 | Release date: | 2021-03-03 | Identifier: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1~{S},3~{R})-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethanone |
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![WEP WEP](https://data.pdbj.org/pdbjplus/data/cc/svg/WEP.svg) | WEP | Name: | N-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | Formula: | C56 H67 F2 N9 O8 S2 | SMILES: | c8sc(c1ccc(cc1)CNC(C2CC(O)CN2C(C(C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c3cc5c(cc3CS(C)(=O)=O)C4=CN(C(c7c4c(CN5c6c(F)cc(F)cn6)cn7)=O)C)=O)=O)c(C)n8 | InChi: | InChI=1S/C56H67F2N9O8S2/c1-33-49(76-32-63-33)35-18-16-34(17-19-35)25-62-53(71)45-23-39(68)29-67(45)55(73)50(56(2,3)4)64-46(69)15-13-11-9-7-8-10-12-14-20-59-52(70)40-24-44-41(21-36(40)31-77(6,74)75)42-30-65(5)54(72)48-47(42)37(26-60-48)28-66(44)51-43(58)22-38(57)27-61-51/h16-19,21-22,24,26-27,30,32,39,45,50,60,68H,7-15,20,23,25,28-29,31H2,1-6H3,(H,59,70)(H,62,71)(H,64,69)/t39-,45+,50-/m1/s1 | Definition date: | 2020-10-21 | Last modified: | 2021-02-19 | Release date: | 2021-02-24 | Identifier: | N-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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![OR9 OR9](https://data.pdbj.org/pdbjplus/data/cc/svg/OR9.svg) | OR9 | Name: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | Formula: | C17 H17 N O2 | SMILES: | C12Cc4ccc(c(c4c3c1c(CCN2C)ccc3)O)O | InChi: | InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | Definition date: | 2020-08-24 | Last modified: | 2021-02-19 | Release date: | 2021-02-24 | Identifier: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol |
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![RQV RQV](https://data.pdbj.org/pdbjplus/data/cc/svg/RQV.svg) | RQV | Name: | N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide | Formula: | C23 H22 N4 O2 | SMILES: | c1(C#N)ccc2c(c1)nc(cc2CN3CCOCC3)c4ccc(NC(=O)C)cc4 | InChi: | InChI=1S/C23H22N4O2/c1-16(28)25-20-5-3-18(4-6-20)22-13-19(15-27-8-10-29-11-9-27)21-7-2-17(14-24)12-23(21)26-22/h2-7,12-13H,8-11,15H2,1H3,(H,25,28) | Definition date: | 2020-02-24 | Last modified: | 2021-02-19 | Release date: | 2021-02-24 | Identifier: | N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide |
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![RME RME](https://data.pdbj.org/pdbjplus/data/cc/svg/RME.svg) | RME | Name: | N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine | Formula: | C17 H22 N6 O3 | SMILES: | Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+]([O-])=O)c1 | InChi: | InChI=1S/C17H22N6O3/c1-13-4-5-18-16(12-13)20-15-3-2-14(23(24)25)17(21-15)19-6-7-22-8-10-26-11-9-22/h2-5,12H,6-11H2,1H3,(H2,18,19,20,21) | Synonyms: | ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine | Definition date: | 2011-07-20 | Last modified: | 2021-02-16 | Identifier: | ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine |
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![RV2 RV2](https://data.pdbj.org/pdbjplus/data/cc/svg/RV2.svg) | RV2 | Name: | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | Formula: | C19 H13 Cl N2 O5 | SMILES: | OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)c3cocc3 | InChi: | InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26) | Synonyms: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid | Definition date: | 2020-10-21 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid |
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![XYJ XYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XYJ.svg) | XYJ | Name: | 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide | Formula: | C16 H24 N6 O6 S2 | SMILES: | C(NS(CCN1CCOCC1)(=O)=O)(CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3)=O | InChi: | InChI=1S/C16H24N6O6S2/c1-20-13-12(14(24)21(2)16(20)25)17-15(18-13)29-9-3-11(23)19-30(26,27)10-6-22-4-7-28-8-5-22/h3-10H2,1-2H3,(H,17,18)(H,19,23) | Definition date: | 2021-01-20 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide |
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![XB1 XB1](https://data.pdbj.org/pdbjplus/data/cc/svg/XB1.svg) | XB1 | Name: | N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea | Formula: | C17 H27 N7 O3 S2 | SMILES: | C(CCSc2nc1C(=O)N(C(N(c1n2)C)=O)C)NC(NCCN3CCOCC3)=S | InChi: | InChI=1S/C17H27N7O3S2/c1-22-13-12(14(25)23(2)17(22)26)20-16(21-13)29-11-3-4-18-15(28)19-5-6-24-7-9-27-10-8-24/h3-11H2,1-2H3,(H,20,21)(H2,18,19,28) | Definition date: | 2020-12-08 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea |
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