Compound ID	CP0314578
Compound Name	4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-fluoro-N-(4-fluorophenyl)anilino)butyl]piperidin-4-ol     Show/Hide
Structure
Formula	C28H28ClF5N2O
Molecular Weight	538.988
Canonical SMILES	OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F     Show/Hide
InChI	InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2     Show/Hide
InChIKey	CVRMQFHSOSVJET-UHFFFAOYSA-N
Physicochemical Property	logP 7.5389 Rotatable Bonds 8 Heavy Atom Count 37 Polar Areas 26.71 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Complexity 37 "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: 145980271
ChEMBL ID	CHEMBL4278465

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
CL000035	NIH 3T3  Cell Line Info	Mus musculus (Mouse)	1
1	IC50 = 11600 nM	TI    LI    LO    TS
CL000111	MDA-MB-231  Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 11300 nM	TI    LI    LO    TS