General Information of the Compound
Compound ID
CP0431210
Compound Name
3-((E)-2-Pyridin-3-yl-vinyl)-1H-indole
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Structure
Formula
C15H12N2
Molecular Weight
220.275
Canonical SMILES
C(=C/c1cccnc1)\c1c[nH]c2ccccc12
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InChI
InChI=1S/C15H12N2/c1-2-6-15-14(5-1)13(11-17-15)8-7-12-4-3-9-16-10-12/h1-11,17H/b8-7+
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InChIKey
XEGNKAULPJNZHP-BQYQJAHWSA-N
Physicochemical Property
logP
3.7333
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 14948489
SID: 104226518
ChEMBL ID
CHEMBL441669
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: PT05447, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000784 P815B Mus musculus (Mouse)  1
1
IC50 = 1000 nM
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