General Information of the Compound
Compound ID
CP0476501
Compound Name
N3-(4- Ethynylphenyl) furo[2,3-c] pyridine-2,3- diamine
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Structure
Formula
C15H11N3O
Molecular Weight
249.273
Canonical SMILES
Nc1oc2cnccc2c1Nc1ccc(cc1)C#C
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InChI
InChI=1S/C15H11N3O/c1-2-10-3-5-11(6-4-10)18-14-12-7-8-17-9-13(12)19-15(14)16/h1,3-9,18H,16H2
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InChIKey
BLHNAACUGMUUAG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1349
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
64.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 118894399
ChEMBL ID
CHEMBL4294844
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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