General Information of the Compound
Compound ID
CP0552443
Compound Name
7-(2- methylpyridin- 4-yl)-N3-(3- (trifluoro- methyl)phenyl) furo[2,3-c] pyridine- 2,3-diamine
    Show/Hide
Structure
Formula
C20H15F3N4O
Molecular Weight
384.361
Canonical SMILES
Cc1cc(ccn1)-c1nccc2c(Nc3cccc(c3)C(F)(F)F)c(N)oc12
    Show/Hide
InChI
InChI=1S/C20H15F3N4O/c1-11-9-12(5-7-25-11)16-18-15(6-8-26-16)17(19(24)28-18)27-14-4-2-3-13(10-14)20(21,22)23/h2-10,27H,24H2,1H3
    Show/Hide
InChIKey
HGDJPWIVWFLKKP-UHFFFAOYSA-N
Physicochemical Property
logP
5.54282
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
76.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 117704877
ChEMBL ID
CHEMBL4293768
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