General Information of the Compound
Compound ID
CP0536226
Compound Name
7-(2- Methylpyridin- 4-yl)-N3- phenylfuro[2,3- c]pyridine-2,3- diamine
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Structure
Formula
C19H16N4O
Molecular Weight
316.364
Canonical SMILES
Cc1cc(ccn1)-c1nccc2c(Nc3ccccc3)c(N)oc12
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InChI
InChI=1S/C19H16N4O/c1-12-11-13(7-9-21-12)16-18-15(8-10-22-16)17(19(20)24-18)23-14-5-3-2-4-6-14/h2-11,23H,20H2,1H3
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InChIKey
AUYRXLGPFQBYPV-UHFFFAOYSA-N
Physicochemical Property
logP
4.52402
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
76.97
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: 117698433
ChEMBL ID
CHEMBL4293633
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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