General Information of the Compound
Compound ID
CP0407855
Compound Name
4-fluoro-3-[1-(4-fluoro-1H-indol-3-yl)ethyl]-1H-indole
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Structure
Formula
C18H14F2N2
Molecular Weight
296.32
Canonical SMILES
CC(c1c[nH]c2cccc(F)c12)c1c[nH]c2cccc(F)c12
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InChI
InChI=1S/C18H14F2N2/c1-10(11-8-21-15-6-2-4-13(19)17(11)15)12-9-22-16-7-3-5-14(20)18(12)16/h2-10,21-22H,1H3
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InChIKey
SHQSGQBSACDUQN-UHFFFAOYSA-N
Physicochemical Property
logP
5.0792
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
31.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
0
Complexity
22

"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: 137658717
ChEMBL ID
CHEMBL4097530
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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   LI
   LO
   TS