General Information of the Compound
Compound ID
CP0939981
Compound Name
(5-Trifluoromethylpyridin-2-yl)[2-(3-trifluoromethylpyridin-2-yl)[1,7]naphthyridin-5-yl]amine
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Structure
Formula
C20H11F6N5
Molecular Weight
435.331
Canonical SMILES
FC(F)(F)c1ccc(Nc2cncc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1
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InChI
InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-17(29-8-11)31-16-10-27-9-15-12(16)4-5-14(30-15)18-13(20(24,25)26)2-1-7-28-18/h1-10H,(H,29,31)
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InChIKey
QJKXKADYJBPRRS-UHFFFAOYSA-N
Physicochemical Property
logP
5.868
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
63.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 46204201
SID: 96058313
ChEMBL ID
CHEMBL3349453
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 460 nM
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