General Information of the Compound
Compound ID
CP0518018
Compound Name
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-phenylbenzamide
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Structure
Formula
C23H17F6NO
Molecular Weight
437.383
Canonical SMILES
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1-c1ccccc1
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InChI
InChI=1S/C23H17F6NO/c1-30(14-15-11-17(22(24,25)26)13-18(12-15)23(27,28)29)21(31)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13H,14H2,1H3
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InChIKey
MUZDMKDXKSNMIN-UHFFFAOYSA-N
Physicochemical Property
logP
6.6634
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).

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PubChem ID
CID: 11305162
SID: 16393643
ChEMBL ID
CHEMBL203109
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 = 51 nM
   TI
   LI
   LO
   TS