General Information of the Compound
Compound ID
CP0552456
Compound Name
1-(4-((2- Aminofuro[2,3- c]pyridin-3- yl)amino) phenyl) ethanone
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Structure
Formula
C15H13N3O2
Molecular Weight
267.288
Canonical SMILES
CC(=O)c1ccc(Nc2c(N)oc3cnccc23)cc1
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InChI
InChI=1S/C15H13N3O2/c1-9(19)10-2-4-11(5-3-10)18-14-12-6-7-17-8-13(12)20-15(14)16/h2-8,18H,16H2,1H3
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InChIKey
ORFOXVVMFCIQDI-UHFFFAOYSA-N
Physicochemical Property
logP
3.3562
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
81.15
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: 117704796
ChEMBL ID
CHEMBL4288159
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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