Compound ID	CP0847634
Compound Name	(E)-N-[4'-(Phenethylamino-methyl)-biphenyl-4-ylmethyl]-3-phenyl-N-pyridin-3-ylmethyl-acrylamide TFA     Show/Hide
Structure
Formula	C39H36F3N3O3
Molecular Weight	651.729
Canonical SMILES	O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)Cc1cccnc1.O=C(O)C(F)(F)F     Show/Hide
InChI	InChI=1S/C37H35N3O.C2HF3O2/c41-37(22-17-30-8-3-1-4-9-30)40(29-34-12-7-24-38-27-34)28-33-15-20-36(21-16-33)35-18-13-32(14-19-35)26-39-25-23-31-10-5-2-6-11-31;3-2(4,5)1(6)7/h1-22,24,27,39H,23,25-26,28-29H2;(H,6,7)/b22-17+;     Show/Hide
InChIKey	LYHQJHWJMJJLAD-GDHRODDYSA-N
Physicochemical Property	logP 7.9564 Rotatable Bonds 12 Heavy Atom Count 48 Polar Areas 82.53 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Complexity 48 "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: 44397589
ChEMBL ID	CHEMBL187928

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