General Information of the Compound
Compound ID
CP0049447
Compound Name
7-(4-Dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
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Structure
Formula
C15H15N5
Molecular Weight
265.32
Canonical SMILES
CN(C)c1ccc(cc1)-c1ccc2c(N)ncnc2n1
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InChI
InChI=1S/C15H15N5/c1-20(2)11-5-3-10(4-6-11)13-8-7-12-14(16)17-9-18-15(12)19-13/h3-9H,1-2H3,(H2,16,17,18,19)
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InChIKey
VGEHLSXZXFSLRZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.34
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
67.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 11140029
SID: 16217607
ChEMBL ID
CHEMBL303499
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 773 nM