PDB CCD ID: | PKP |
Number of entries in BioLiP: | 16 |
Chemical formula: | C21 H18 Cl N O3 S |
InChI: | InChI=1S/C21H18ClNO3S/c1-21(2)10-16(24)19(17(25)11-21)12-3-6-14(7-4-12)26-20-23-15-8-5-13(22)9-18(15)27-20/h3-9,24H,10-11H2,1-2H3 |
InChIKey: | POUJNUFBEAPAJW-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3)cc(cc4)Cl)O | OpenEye OEToolkits 2.0.7 | CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C | CACTVS 3.385 | CC1(C)CC(=C(C(=O)C1)c2ccc(Oc3sc4cc(Cl)ccc4n3)cc2)O |
|
Name: | 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one |