General Information of the Compound
Compound ID
CP0429290
Compound Name
N3-(2,4- Dimethoxy- phenyl)furo [2,3-c] pyridine-2,3- diamine
    Show/Hide
Structure
Formula
C15H15N3O3
Molecular Weight
285.303
Canonical SMILES
COc1ccc(Nc2c(N)oc3cnccc23)c(OC)c1
    Show/Hide
InChI
InChI=1S/C15H15N3O3/c1-19-9-3-4-11(12(7-9)20-2)18-14-10-5-6-17-8-13(10)21-15(14)16/h3-8,18H,16H2,1-2H3
    Show/Hide
InChIKey
VCSFQEVQFJMCPE-UHFFFAOYSA-N
Physicochemical Property
logP
3.1708
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
82.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 86582014
ChEMBL ID
CHEMBL4289518
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: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 2000 nM
   TI
   LI
   LO
   TS