General Information of the Compound
Compound ID
CP0151567
Compound Name
2,4-diaminofuro[2,3-d]pyrimidine, 9
    Show/Hide
Structure
Formula
C18H22N4O2
Molecular Weight
326.4
Canonical SMILES
COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
    Show/Hide
InChI
InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
    Show/Hide
InChIKey
AALMZTNNZVHOAS-UHFFFAOYSA-N
Physicochemical Property
logP
3.3781
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
100.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 44246326
ChEMBL ID
CHEMBL595757
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 = 18200 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 = 5000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000895 2008/MRP1 Homo sapiens (Human)  1
1
IC50 > 500000 nM
   TI
   LI
   LO
   TS