PDB CCD ID: | 95G |
Number of entries in BioLiP: | 8 |
Chemical formula: | C14 H10 Br Cl2 N5 O4 S2 |
InChI: | InChI=1S/C14H10BrCl2N5O4S2/c1-22-12(10(16)11(17)20-22)26-7-2-4-8(5-3-7)28(24,25)21-13(23)19-14-18-6-9(15)27-14/h2-6H,1H3,(H2,18,19,21,23) |
InChIKey: | PRZBYMWCBKOTJZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | Cn1nc(Cl)c(Cl)c1Oc2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 | OpenEye OEToolkits 2.0.6 | Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br | ACDLabs 12.01 | c2(Oc1c(c(Cl)nn1C)Cl)ccc(cc2)S(NC(=O)Nc3sc(cn3)Br)(=O)=O |
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Name: | N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide |