Compound ID	CP0017968
Compound Name	3-cyano-4-[2-[2-[(2-piperidin-4-ylethylamino)methyl]pyridin-4-yl]-4-[3-(trifluoromethyl)phenyl]phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide     Show/Hide
Structure
Formula	C35H32F3N7O3S2
Molecular Weight	719.815
Canonical SMILES	FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1     Show/Hide
InChI	InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)     Show/Hide
InChIKey	WSPHMGORSRQULF-UHFFFAOYSA-N
Physicochemical Property	logP 7.22998 Rotatable Bonds 12 Heavy Atom Count 50 Polar Areas 141.92 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10 Complexity 50 "RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count).     Show/Hide
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PubChem ID	CID: 118540795
ChEMBL ID	CHEMBL4217988

Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity