General Information of the Compound
Compound ID
CP0380834
Compound Name
N-(4-chlorophenyl)-2,6-dimethylfuro[2,3-d]pyrimidin-4-amine
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Structure
Formula
C14H12ClN3O
Molecular Weight
273.723
Canonical SMILES
Cc1cc2c(Nc3ccc(Cl)cc3)nc(C)nc2o1
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InChI
InChI=1S/C14H12ClN3O/c1-8-7-12-13(16-9(2)17-14(12)19-8)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,17,18)
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InChIKey
OIROINPIHKPYSK-UHFFFAOYSA-N
Physicochemical Property
logP
4.23664
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
50.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 90645486
ChEMBL ID
CHEMBL3297895
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 = 102.3 nM
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   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000118 U-251MG Homo sapiens (Human)  1
1
IC50 = 70.2 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 60 nM
   TI
   LI
   LO
   TS