General Information of the Compound
Compound ID
CP0467756
Compound Name
N-(4-ethylphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine
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Structure
Formula
C16H17N3O
Molecular Weight
267.332
Canonical SMILES
CCc1ccc(cc1)N(C)c1ncnc2occ(C)c12
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InChI
InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19(3)15-14-11(2)9-20-16(14)18-10-17-15/h5-10H,4H2,1-3H3
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InChIKey
HZYHQHCKBTWZMB-UHFFFAOYSA-N
Physicochemical Property
logP
3.86152
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
42.16
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 145982785
ChEMBL ID
CHEMBL4242522
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 = 4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 28.9 nM
   TI
   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 = 7.8 nM
   TI
   LI
   LO
   TS