General Information of the Compound
Compound ID
CP0389518
Compound Name
N,2-diphenylpyrido[2,3-d]pyrimidin-4-amine
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Structure
Formula
C19H14N4
Molecular Weight
298.349
Canonical SMILES
N(c1ccccc1)c1nc(nc2ncccc12)-c1ccccc1
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InChI
InChI=1S/C19H14N4/c1-3-8-14(9-4-1)17-22-18-16(12-7-13-20-18)19(23-17)21-15-10-5-2-6-11-15/h1-13H,(H,20,21,22,23)
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InChIKey
GZXZUNKHWMIJBH-UHFFFAOYSA-N
Physicochemical Property
logP
4.4354
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 137639918
ChEMBL ID
CHEMBL4072482
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  3
1
EC50 = 37.1 nM
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   TS
2
GI50 = 8.61 nM
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3
IC50 = 149 nM
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   LO
   TS