General Information of the Compound
Compound ID
CP0476499
Compound Name
N3-(4- Phenoxyphenyl) furo[2,3-c] pyridine-2,3- diamine
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Structure
Formula
C19H15N3O2
Molecular Weight
317.348
Canonical SMILES
Nc1oc2cnccc2c1Nc1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C19H15N3O2/c20-19-18(16-10-11-21-12-17(16)24-19)22-13-6-8-15(9-7-13)23-14-4-2-1-3-5-14/h1-12,22H,20H2
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InChIKey
QVXBRBPKAHZYSQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.9459
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
73.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 117704814
ChEMBL ID
CHEMBL4283161
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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