Compound ID	CP0861232
Compound Name	3-Cyclopentyl-N-(2-dimethylamino-ethyl)-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-propionamide with di TFA     Show/Hide
Structure
Formula	C38H47F6N3O5
Molecular Weight	739.798
Canonical SMILES	CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F     Show/Hide
InChI	InChI=1S/C34H45N3O.2C2HF3O2/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29;2*3-2(4,5)1(6)7/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3;2*(H,6,7)     Show/Hide
InChIKey	GQTXLMGFFOLOLU-UHFFFAOYSA-N
Physicochemical Property	logP 7.8131 Rotatable Bonds 14 Heavy Atom Count 52 Polar Areas 110.18 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Complexity 52 "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: 44397670
ChEMBL ID	CHEMBL191460

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