General Information of the Compound
Compound ID
CP0395654
Compound Name
N-(4-methoxyphenyl)-N,2-dimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
    Show/Hide
Structure
Formula
C15H17ClN4O
Molecular Weight
304.781
Canonical SMILES
Cl.COc1ccc(cc1)N(C)c1nc(C)nc2cc[nH]c12
    Show/Hide
InChI
InChI=1S/C15H16N4O.ClH/c1-10-17-13-8-9-16-14(13)15(18-10)19(2)11-4-6-12(20-3)7-5-11;/h4-9,16H,1-3H3;1H
    Show/Hide
InChIKey
NMFPGPPYEDLRJA-UHFFFAOYSA-N
Physicochemical Property
logP
3.46462
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
54.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 53354781
SID: 125239026
ChEMBL ID
CHEMBL3287223
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: 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 = 182.3 nM
   TI
   LI
   LO
   TS