Compound ID	CP0082560
Compound Name	4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol     Show/Hide
Structure
Formula	C28H29ClF3NO
Molecular Weight	487.993
Canonical SMILES	OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F     Show/Hide
InChI	InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2     Show/Hide
InChIKey	SGUZNMAAJVIZHU-UHFFFAOYSA-N
Physicochemical Property	logP 7.2545 Rotatable Bonds 7 Heavy Atom Count 34 Polar Areas 23.47 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Complexity 34 "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: 53324045 SID: 131467606
ChEMBL ID	CHEMBL1644980

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

Cell Line ID	Cell Line Name	Cell Line Organism
CL000111	MDA-MB-231  Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 9300 nM	TI    LI    LO    TS