General Information of the Compound
Compound ID
CP0505927
Compound Name
5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
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Structure
Formula
C26H27BrN6
Molecular Weight
503.448
Canonical SMILES
CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Br)c2)c1C1CCCCC1
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InChI
InChI=1S/C26H27BrN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h6,9-16H,3-5,7-8H2,1-2H3,(H2,28,30,31,32)
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InChIKey
FAJYEYOAVFDHOL-UHFFFAOYSA-N
Physicochemical Property
logP
6.2122
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
80.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 11752435
SID: 16860110
ChEMBL ID
CHEMBL147390
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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