General Information of the Compound
Compound ID
CP0425859
Compound Name
7-(4-Dimethylamino-phenyl)-5,6-diphenyl-pyrido[2,3-d]pyrimidin-4-ylamine
    Show/Hide
Structure
Formula
C27H23N5
Molecular Weight
417.516
Canonical SMILES
CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1
    Show/Hide
InChI
InChI=1S/C27H23N5/c1-32(2)21-15-13-20(14-16-21)25-23(19-11-7-4-8-12-19)22(18-9-5-3-6-10-18)24-26(28)29-17-30-27(24)31-25/h3-17H,1-2H3,(H2,28,29,30,31)
    Show/Hide
InChIKey
FSAWFKKQVBJPCL-UHFFFAOYSA-N
Physicochemical Property
logP
5.674
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
67.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11270033
SID: 16356205
ChEMBL ID
CHEMBL356256
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 = 250 nM
   TI
   LI
   LO
   TS