General Information of the Compound
Compound ID
CP0578474
Compound Name
N3-(3,4- Difluoro- phenyl)-7-(2- methoxy- phenyl)furo [2,3-c]pyridine- 2,3-diamine
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Structure
Formula
C20H15F2N3O2
Molecular Weight
367.355
Canonical SMILES
COc1ccccc1-c1nccc2c(Nc3ccc(F)c(F)c3)c(N)oc12
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InChI
InChI=1S/C20H15F2N3O2/c1-26-16-5-3-2-4-12(16)17-19-13(8-9-24-17)18(20(23)27-19)25-11-6-7-14(21)15(22)10-11/h2-10,25H,23H2,1H3
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InChIKey
IWYFYHUBDOWESR-UHFFFAOYSA-N
Physicochemical Property
logP
5.1074
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
73.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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).

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PubChem ID
CID: 117704866
ChEMBL ID
CHEMBL4277866
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
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