General Information of the Compound
Compound ID
CP0504791
Compound Name
6-fluoro-3-[(E)-2-phenylethenyl]-1H-indole
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Structure
Formula
C16H12FN
Molecular Weight
237.277
Canonical SMILES
Fc1ccc2c(\C=C\c3ccccc3)c[nH]c2c1
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InChI
InChI=1S/C16H12FN/c17-14-8-9-15-13(11-18-16(15)10-14)7-6-12-4-2-1-3-5-12/h1-11,18H/b7-6+
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InChIKey
ADCBCNBGSDOIIY-VOTSOKGWSA-N
Physicochemical Property
logP
4.4774
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
15.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
0
Complexity
18

"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: 53391824
SID: 125320062
ChEMBL ID
CHEMBL1812533
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 = 40000 nM
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