General Information of the Compound
Compound ID
CP0432010
Compound Name
N-[(3-fluorophenyl)methyl]-2-(4-phenylphenyl)acetamide
    Show/Hide
Structure
Formula
C21H18FNO
Molecular Weight
319.379
Canonical SMILES
Fc1cccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)c1
    Show/Hide
InChI
InChI=1S/C21H18FNO/c22-20-8-4-5-17(13-20)15-23-21(24)14-16-9-11-19(12-10-16)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,24)
    Show/Hide
InChIKey
ZTUNDZFMZYXOCZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3516
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
24

"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: 11702481
SID: 16807115
ChEMBL ID
CHEMBL4436308
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 349 nM
   TI
   LI
   LO
   TS