General Information of the Compound
Compound ID
CP0490064
Compound Name
N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]-2-phenylbenzamide
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Structure
Formula
C24H19F6NO
Molecular Weight
451.41
Canonical SMILES
CC(C)(NC(=O)c1ccccc1-c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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InChI
InChI=1S/C24H19F6NO/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)31-21(32)20-11-7-6-10-19(20)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,31,32)
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InChIKey
MMFMOVWBMBBOGD-UHFFFAOYSA-N
Physicochemical Property
logP
7.0563
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
32

"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: 44408793
ChEMBL ID
CHEMBL202962
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 > 10000 nM
   TI
   LI
   LO
   TS