Compound ID	CP0853819
Compound Name	(E)-N-(2-Dimethylamino-ethyl)-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-3-phenyl-acrylamide TFA     Show/Hide
Structure
Formula	C37H40F3N3O3
Molecular Weight	631.739
Canonical SMILES	CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1.O=C(O)C(F)(F)F     Show/Hide
InChI	InChI=1S/C35H39N3O.C2HF3O2/c1-37(2)25-26-38(35(39)22-17-29-9-5-3-6-10-29)28-32-15-20-34(21-16-32)33-18-13-31(14-19-33)27-36-24-23-30-11-7-4-8-12-30;3-2(4,5)1(6)7/h3-22,36H,23-28H2,1-2H3;(H,6,7)/b22-17+;     Show/Hide
InChIKey	YGSBPGMQWWXFLI-GDHRODDYSA-N
Physicochemical Property	logP 6.9228 Rotatable Bonds 13 Heavy Atom Count 46 Polar Areas 72.88 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Complexity 46 "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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID	CID: 44397588
ChEMBL ID	CHEMBL188486

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