General Information of the Compound
Compound ID
CP0485960
Compound Name
2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide
    Show/Hide
Structure
Formula
C23H17F6NO
Molecular Weight
437.383
Canonical SMILES
CN(C(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1-c1ccccc1
    Show/Hide
InChI
InChI=1S/C23H17F6NO/c1-30(20-10-6-5-9-19(20)16-7-3-2-4-8-16)21(31)13-15-11-17(22(24,25)26)14-18(12-15)23(27,28)29/h2-12,14H,13H2,1H3
    Show/Hide
InChIKey
YPDPPCHRJSBOBT-UHFFFAOYSA-N
Physicochemical Property
logP
6.5967
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
31

"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: 18546495
ChEMBL ID
CHEMBL381744
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 562 nM
   TI
   LI
   LO
   TS