General Information of the Compound
Compound ID
CP0507642
Compound Name
7-(6-Dimethylamino-pyridin-3-yl)-5,6-diphenyl-pyrido[2,3-d]pyrimidin-4-ylamine
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Structure
Formula
C26H22N6
Molecular Weight
418.504
Canonical SMILES
CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1
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InChI
InChI=1S/C26H22N6/c1-32(2)20-14-13-19(15-28-20)24-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)23-25(27)29-16-30-26(23)31-24/h3-16H,1-2H3,(H2,27,29,30,31)
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InChIKey
FZVIKJCZQYUWJI-UHFFFAOYSA-N
Physicochemical Property
logP
5.069
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
80.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 10002103
SID: 14981883
ChEMBL ID
CHEMBL151448
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 = 53 nM
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