General Information of the Compound
Compound ID
CP0555202
Compound Name
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide
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Structure
Formula
C24H20F6N2O
Molecular Weight
466.425
Canonical SMILES
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc(C)cc1-c1ccccc1
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InChI
InChI=1S/C24H20F6N2O/c1-14-9-20(17-7-5-4-6-8-17)21(15(2)31-14)22(33)32(3)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h4-12H,13H2,1-3H3
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InChIKey
CNDCKVKAMQTYNU-UHFFFAOYSA-N
Physicochemical Property
logP
6.67524
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
33.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
33

"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: 54580277
ChEMBL ID
CHEMBL1765502
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
IC50 = 41 nM
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