General Information of the Compound
Compound ID
CP0853486
Compound Name
N4-(3-aminobenzyl)benzofuro[2,3-b]pyridine-4,6-diamine
    Show/Hide
Structure
Formula
C18H16N4O
Molecular Weight
304.353
Canonical SMILES
Nc1cccc(CNc2ccnc3oc4ccc(N)cc4c23)c1
    Show/Hide
InChI
InChI=1S/C18H16N4O/c19-12-3-1-2-11(8-12)10-22-15-6-7-21-18-17(15)14-9-13(20)4-5-16(14)23-18/h1-9H,10,19-20H2,(H,21,22)
    Show/Hide
InChIKey
ACJRYIMGNWBLFL-UHFFFAOYSA-N
Physicochemical Property
logP
3.7575
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
90.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 145978562
ChEMBL ID
CHEMBL4206140
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 940 nM
   TI
   LI
   LO
   TS
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 8930 nM
   TI
   LI
   LO
   TS