Compound ID	CP0202831
Compound Name	4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)butyl]piperidin-4-ol     Show/Hide
Structure
Formula	C30H34ClF3N2O3
Molecular Weight	563.06
Canonical SMILES	COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1     Show/Hide
InChI	InChI=1S/C30H34ClF3N2O3/c1-38-25-10-6-23(7-11-25)36(24-8-12-26(39-2)13-9-24)18-4-3-17-35-19-15-29(37,16-20-35)22-5-14-28(31)27(21-22)30(32,33)34/h5-14,21,37H,3-4,15-20H2,1-2H3     Show/Hide
InChIKey	DYLSSJRMONSQGQ-UHFFFAOYSA-N
Physicochemical Property	logP 7.2779 Rotatable Bonds 10 Heavy Atom Count 39 Polar Areas 45.17 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Complexity 39 "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: 145986752
ChEMBL ID	CHEMBL4293307

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)	2
1	IC50 = 5400 nM	TI    LI    LO    TS
2	IC50 = 7100 nM	TI    LI    LO    TS