General Information of the Compound
Compound ID
CP0578456
Compound Name
3-((2- Aminofuro [2,3-c]pyridin- 3-yl)amino)-2- fluoro- benzonitrile
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Structure
Formula
C14H9FN4O
Molecular Weight
268.251
Canonical SMILES
Nc1oc2cnccc2c1Nc1cccc(C#N)c1F
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InChI
InChI=1S/C14H9FN4O/c15-12-8(6-16)2-1-3-10(12)19-13-9-4-5-18-7-11(9)20-14(13)17/h1-5,7,19H,17H2
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InChIKey
AAAVBQJEGAGMOW-UHFFFAOYSA-N
Physicochemical Property
logP
3.16438
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
87.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 86582013
ChEMBL ID
CHEMBL4289077
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
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