General Information of the Compound
Compound ID
CP0372362
Compound Name
4-N-[3-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
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Structure
Formula
C15H16N6
Molecular Weight
280.335
Canonical SMILES
CN(C)c1cccc(Nc2ncnc3cc(N)ncc23)c1
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InChI
InChI=1S/C15H16N6/c1-21(2)11-5-3-4-10(6-11)20-15-12-8-17-14(16)7-13(12)18-9-19-15/h3-9H,1-2H3,(H2,16,17)(H,18,19,20)
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InChIKey
AXWWHGKCZJFFIJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4166
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
79.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 5328067
SID: 15071604
ChEMBL ID
CHEMBL125331
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 = 1790 nM
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