General Information of the Compound
Compound ID
CP0536255
Compound Name
2-Amino-3-((2- chlorophenyl) amino) benzofuran-6- carbonitrile
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Structure
Formula
C15H10ClN3O
Molecular Weight
283.718
Canonical SMILES
Nc1oc2cc(ccc2c1Nc1ccccc1Cl)C#N
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InChI
InChI=1S/C15H10ClN3O/c16-11-3-1-2-4-12(11)19-14-10-6-5-9(8-17)7-13(10)20-15(14)18/h1-7,19H,18H2
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InChIKey
SGQPFNVVJOUCHZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.28368
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
74.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 117698703
ChEMBL ID
CHEMBL4287458
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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