General Information of the Compound
Compound ID
CP0536222
Compound Name
N3-(3,4- difluoro- phenyl)-7- (pyridin-4- yl)furo[2,3- c]pyridine-2,3- diamine
    Show/Hide
Structure
Formula
C18H12F2N4O
Molecular Weight
338.317
Canonical SMILES
Nc1oc2c(nccc2c1Nc1ccc(F)c(F)c1)-c1ccncc1
    Show/Hide
InChI
InChI=1S/C18H12F2N4O/c19-13-2-1-11(9-14(13)20)24-16-12-5-8-23-15(17(12)25-18(16)21)10-3-6-22-7-4-10/h1-9,24H,21H2
    Show/Hide
InChIKey
YZPRNUIZJURTKK-UHFFFAOYSA-N
Physicochemical Property
logP
4.4938
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
76.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 86280679
ChEMBL ID
CHEMBL4279060
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 < 500 nM
   TI
   LI
   LO
   TS