![Q3J Q3J](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3J.svg) | Q3J | Name: | 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one | Formula: | C16 H20 B F2 N3 O | SMILES: | CCN(CC)c1ccc2C=C3C(=O)N(C)C(=[N+]3[B-](F)(F)c2c1)C | InChi: | InChI=1S/C16H20BF2N3O/c1-5-21(6-2)13-8-7-12-9-15-16(23)20(4)11(3)22(15)17(18,19)14(12)10-13/h7-10H,5-6H2,1-4H3 | Definition date: | 2019-09-13 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one |
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![Q4E Q4E](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4E.svg) | Q4E | Name: | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one | Formula: | C16 H16 Cl N3 O S | SMILES: | CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 | InChi: | InChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3 | Definition date: | 2020-05-07 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one |
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![Q4T Q4T](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4T.svg) | Q4T | Name: | 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid | Formula: | C26 H22 Cl F3 N2 O4 | SMILES: | OC(=O)Cc1cc(F)ccc1NC(=O)c2cccc(c2F)c3cc(O[CH]4CCCNC4)c(Cl)cc3F | InChi: | InChI=1S/C26H22ClF3N2O4/c27-20-12-21(29)19(11-23(20)36-16-3-2-8-31-13-16)17-4-1-5-18(25(17)30)26(35)32-22-7-6-15(28)9-14(22)10-24(33)34/h1,4-7,9,11-12,16,31H,2-3,8,10,13H2,(H,32,35)(H,33,34)/t16-/m1/s1 | Definition date: | 2020-05-11 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid |
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![Q4W Q4W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4W.svg) | Q4W | Name: | 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one | Formula: | C15 H16 Cl N3 O S | SMILES: | CC(C)[CH]1NC(=CS1)CN2C=Nc3ccc(Cl)cc3C2=O | InChi: | InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3/t14-/m0/s1 | Definition date: | 2020-05-12 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
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![Q6H Q6H](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6H.svg) | Q6H | Name: | 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide | Formula: | C18 H17 F N2 O3 Se | SMILES: | Fc1ccc([SeH])c(c1)C(=O)Nc2cccc(c2)C(=O)N3CCOCC3 | InChi: | InChI=1S/C18H17FN2O3Se/c19-13-4-5-16(25)15(11-13)17(22)20-14-3-1-2-12(10-14)18(23)21-6-8-24-9-7-21/h1-5,10-11,25H,6-9H2,(H,20,22) | Definition date: | 2020-05-22 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide |
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![Q7W Q7W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7W.svg) | Q7W | Name: | ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide | Formula: | C14 H12 Cl N O Se | SMILES: | Clc1cccc(CNC(=O)c2ccccc2[SeH])c1 | InChi: | InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide |
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![Q8H Q8H](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8H.svg) | Q8H | Name: | ~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide | Formula: | C13 H12 N2 O Se | SMILES: | [SeH]c1ccccc1C(=O)NCc2cccnc2 | InChi: | InChI=1S/C13H12N2OSe/c16-13(11-5-1-2-6-12(11)17)15-9-10-4-3-7-14-8-10/h1-8,17H,9H2,(H,15,16) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide |
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![QDH QDH](https://data.pdbj.org/pdbjplus/data/cc/svg/QDH.svg) | QDH | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Formula: | C20 H24 Cl F N4 O9 P2 | SMILES: | C[CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccccc4F | InChi: | InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1 | Definition date: | 2020-06-08 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
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![QGE QGE](https://data.pdbj.org/pdbjplus/data/cc/svg/QGE.svg) | QGE | Name: | [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate | Formula: | C18 H17 N O4 S | SMILES: | CCCc1cc2C(=O)C(=COc2cc1OC(C)=O)c3scc(C)n3 | InChi: | InChI=1S/C18H17NO4S/c1-4-5-12-6-13-16(7-15(12)23-11(3)20)22-8-14(17(13)21)18-19-10(2)9-24-18/h6-9H,4-5H2,1-3H3 | Definition date: | 2020-06-16 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
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![QGW QGW](https://data.pdbj.org/pdbjplus/data/cc/svg/QGW.svg) | QGW | Name: | [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate | Formula: | C19 H19 N O4 S | SMILES: | CCCc1cc2C(=O)C(=C(C)Oc2cc1OC(C)=O)c3scc(C)n3 | InChi: | InChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3 | Definition date: | 2020-06-16 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
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![FJO FJO](https://data.pdbj.org/pdbjplus/data/cc/svg/FJO.svg) | FJO | Name: | propane-1,1,1,3-tetrol | Formula: | C3 H8 O4 | SMILES: | OCCC(O)(O)O | InChi: | InChI=1S/C3H8O4/c4-2-1-3(5,6)7/h4-7H,1-2H2 | Definition date: | 2020-05-22 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | propane-1,1,1,3-tetrol |
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![GKF GKF](https://data.pdbj.org/pdbjplus/data/cc/svg/GKF.svg) | GKF | Name: | 3-iodanyl-1~{H}-indazole-7-carbaldehyde | Formula: | C8 H5 I N2 O | SMILES: | Ic1n[nH]c2c(C=O)cccc12 | InChi: | InChI=1S/C8H5IN2O/c9-8-6-3-1-2-5(4-12)7(6)10-11-8/h1-4H,(H,10,11) | Definition date: | 2020-09-03 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 3-iodanyl-1~{H}-indazole-7-carbaldehyde |
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![DY9 DY9](https://data.pdbj.org/pdbjplus/data/cc/svg/DY9.svg) | DY9 | Name: | Fluostatin C | Formula: | C18 H12 O6 | SMILES: | C[C]12O[CH]1[CH](O)c3c(cc(O)c4c5c(O)cccc5C(=O)c34)C2=O | InChi: | InChI=1S/C18H12O6/c1-18-16(23)7-5-9(20)12-10-6(3-2-4-8(10)19)14(21)13(12)11(7)15(22)17(18)24-18/h2-5,15,17,19-20,22H,1H3/t15-,17+,18-/m1/s1 | Definition date: | 2019-09-18 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 |
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![LN4 LN4](https://data.pdbj.org/pdbjplus/data/cc/svg/LN4.svg) | LN4 | Name: | 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea | Formula: | C25 H21 F4 N7 O3 S | SMILES: | CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c3ccnc(Nc4cccc(c4)[S](N)(=O)=O)n3 | InChi: | InChI=1S/C25H21F4N7O3S/c1-36(22-11-12-31-23(35-22)32-17-3-2-4-19(14-17)40(30,38)39)18-8-6-16(7-9-18)33-24(37)34-21-13-15(25(27,28)29)5-10-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37) | Definition date: | 2019-03-05 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea |
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![106 106](https://data.pdbj.org/pdbjplus/data/cc/svg/106.svg) | 106 | Name: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide | Formula: | C14 H11 Br N4 O3 S | SMILES: | N1C(/C(c2cc(ccc12)Br)=NNc3ccc(cc3)S(=O)(=O)N)=O | InChi: | InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20) | Definition date: | 2000-10-03 | Last modified: | 2020-09-09 | Identifier: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide |
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![TZS TZS](https://data.pdbj.org/pdbjplus/data/cc/svg/TZS.svg) | TZS | Name: | N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide | Formula: | C16 H25 N5 O4 S | SMILES: | c21c(ncnc1CC(OC)=C(C2)OC)N3CCC(CC3)CNS(=O)(N)=O | InChi: | InChI=1S/C16H25N5O4S/c1-24-14-7-12-13(8-15(14)25-2)18-10-19-16(12)21-5-3-11(4-6-21)9-20-26(17,22)23/h10-11,20H,3-9H2,1-2H3,(H2,17,22,23) | Definition date: | 2020-04-03 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide |
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![U23 U23](https://data.pdbj.org/pdbjplus/data/cc/svg/U23.svg) | U23 | Name: | URIDINE-5'-MONOPHOSPHATE-2',3'-CYCLIC PHOSPHATE | Formula: | C9 H12 N2 O11 P2 | SMILES: | N1(C(=O)NC(=O)C=C1)C3C2C(OP(O2)(=O)O)C(O3)COP(=O)(O)O | InChi: | InChI=1S/C9H12N2O11P2/c12-5-1-2-11(9(13)10-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H,10,12,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2020-07-31 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | [(2S,3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate |
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![QTH QTH](https://data.pdbj.org/pdbjplus/data/cc/svg/QTH.svg) | QTH | Name: | 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine | Formula: | C22 H23 N2 | SMILES: | C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4)cc2 | InChi: | InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1 | Definition date: | 2020-08-06 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridin-1-ium |
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![QTK QTK](https://data.pdbj.org/pdbjplus/data/cc/svg/QTK.svg) | QTK | Name: | 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium | Formula: | C16 H19 N2 | SMILES: | C1CCN(C1)c2cc[n+](Cc3ccccc3)cc2 | InChi: | InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1 | Definition date: | 2020-08-07 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium |
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![UK1 UK1](https://data.pdbj.org/pdbjplus/data/cc/svg/UK1.svg) | UK1 | Name: | 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one | Formula: | C47 H49 F2 N11 O5 | SMILES: | c1(cc(cc(c1F)C)n7c(c2c(CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C)n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c9c(c%10c(cc9)n(C)nc%10)F)C | InChi: | InChI=1S/C47H49F2N11O5/c1-8-9-37(42-51-45(62)65-53-42)59-34-11-10-30(55-18-19-64-47(5,6)25-55)22-29(34)23-38(59)44(61)56-15-14-33-39(28(56)4)43(60(52-33)31-20-26(2)40(48)27(3)21-31)58-17-16-57(46(58)63)36-13-12-35-32(41(36)49)24-50-54(35)7/h10-13,16-17,20-24,28,37H,8-9,14-15,18-19,25H2,1-7H3,(H,51,53,62)/t28-,37-/m0/s1 | Definition date: | 2020-05-19 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one |
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![UK4 UK4](https://data.pdbj.org/pdbjplus/data/cc/svg/UK4.svg) | UK4 | Name: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid | Formula: | C31 H30 F N5 O4 | SMILES: | C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5 | InChi: | InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | Definition date: | 2020-05-19 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid |
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![V0G V0G](https://data.pdbj.org/pdbjplus/data/cc/svg/V0G.svg) | V0G | Name: | N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide | Formula: | C31 H30 Cl N7 O2 | SMILES: | c1c(ccc(c1)NC(=O)CCCN(C)C)C(=O)Nc2cccc(c2)Nc3nc(c(Cl)cn3)c4c5c(nc4)cccc5 | InChi: | InChI=1S/C31H30ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-5,7-10,12-15,17-19,33H,6,11,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38) | Definition date: | 2020-06-10 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide |
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![OAX OAX](https://data.pdbj.org/pdbjplus/data/cc/svg/OAX.svg) | OAX | Name: | 4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide | Formula: | C13 H15 Cl N2 O2 | SMILES: | Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O | InChi: | InChI=1S/C13H15ClN2O2/c14-12-5-3-11(4-6-12)13(18)15-8-16(9-17)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,15,18) | Definition date: | 2019-09-11 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 4-chloranyl-~{N}-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide |
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![OOH OOH](https://data.pdbj.org/pdbjplus/data/cc/svg/OOH.svg) | OOH | Name: | 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione | Formula: | C15 H14 O7 | SMILES: | CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O | InChi: | InChI=1S/C15H14O7/c1-2-3-4-6(16)10-13(20)9-7(17)5-8(18)12(19)11(9)15(22)14(10)21/h5,17-19,21H,2-4H2,1H3 | Definition date: | 2020-03-25 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 | Identifier: | 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione |
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![OSW OSW](https://data.pdbj.org/pdbjplus/data/cc/svg/OSW.svg) | OSW | Name: | Metala-Carborane di-propyl-sulfonamide | Formula: | C10 H16 B18 Co N2 O4 S2 | SMILES: | N[S](=O)(=O)CCC[C++]123[C+]45[B]678[B]149[B]6%10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%13%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%27%28[B]%25%29%30[B]%21%26%31[B]%29%32%33[B]%27%30%34[B]%18%32([B]%19%22%31%33)[C++]%24%28%34CCC[S](N)(=O)=O | InChi: | InChI=1S/2C5H8B9NO2S.Co/c2*15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12 | Definition date: | 2020-04-02 | Last modified: | 2020-09-04 | Release date: | 2020-09-09 |
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