General Information of the Compound
Compound ID
CP0575136
Compound Name
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
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Structure
Formula
C20H14F3N5
Molecular Weight
381.361
Canonical SMILES
FC(F)(F)c1ccccc1-c1nc(NCc2ccccn2)c2cccnc2n1
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InChI
InChI=1S/C20H14F3N5/c21-20(22,23)16-9-2-1-7-14(16)19-27-17-15(8-5-11-25-17)18(28-19)26-12-13-6-3-4-10-24-13/h1-11H,12H2,(H,25,26,27,28)
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InChIKey
FRGQEMIIURMZPE-UHFFFAOYSA-N
Physicochemical Property
logP
4.7177
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
63.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 166628687
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: PT02106, Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 630.96 nM
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