General Information of the Compound
Compound ID
CP0161822
Compound Name
6-(4-tert-Butyl-phenyl)-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
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Structure
Formula
C25H27N5
Molecular Weight
397.526
Canonical SMILES
CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(cc1)C(C)(C)C
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InChI
InChI=1S/C25H27N5/c1-25(2,3)18-10-6-16(7-11-18)20-14-21-23(26)27-15-28-24(21)29-22(20)17-8-12-19(13-9-17)30(4)5/h6-15H,1-5H3,(H2,26,27,28,29)
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InChIKey
LZNSOVAHFMAUKZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.3045
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
67.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 10222462
SID: 15223438
ChEMBL ID
CHEMBL66568
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 > 1000 nM
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   LI
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   TS