General Information of the Compound
Compound ID
CP0486539
Compound Name
4-methyl-N-(4-(3-(trifluoromethyl)pyridin-2-yl)phenyl)benzamide
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Structure
Formula
C20H15F3N2O
Molecular Weight
356.347
Canonical SMILES
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ncccc1C(F)(F)F
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InChI
InChI=1S/C20H15F3N2O/c1-13-4-6-15(7-5-13)19(26)25-16-10-8-14(9-11-16)18-17(20(21,22)23)3-2-12-24-18/h2-12H,1H3,(H,25,26)
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InChIKey
GHGDKTGPLQLVJX-UHFFFAOYSA-N
Physicochemical Property
logP
5.32812
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 44412466
ChEMBL ID
CHEMBL441688
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1100 nM
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