General Information of the Compound
Compound ID
CP0278985
Compound Name
6-(Methylamino)-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
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Structure
Formula
C15H15N5
Molecular Weight
265.32
Canonical SMILES
CNc1cc2c(Nc3cccc(C)c3)ncnc2cn1
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InChI
InChI=1S/C15H15N5/c1-10-4-3-5-11(6-10)20-15-12-7-14(16-2)17-8-13(12)18-9-19-15/h3-9H,1-2H3,(H,16,17)(H,18,19,20)
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InChIKey
CCLWZSQAMSFYER-UHFFFAOYSA-N
Physicochemical Property
logP
3.11852
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
62.73
Hydrogen Bond Donor Count
2
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: 5328376
SID: 15566140
ChEMBL ID
CHEMBL162821
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.45 nM