General Information of the Compound
Compound ID
CP0047724
Compound Name
7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
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Structure
Formula
C21H19N5
Molecular Weight
341.418
Canonical SMILES
CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
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InChI
InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)
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InChIKey
VQHJJHAACJKZCA-UHFFFAOYSA-N
Physicochemical Property
logP
4.007
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
67.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 10936762
SID: 15989106
ChEMBL ID
CHEMBL68492
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: PT01274, Adenosine kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 467 nM
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