General Information of the Compound
Compound ID
CP0393691
Compound Name
5-fluoro-3-(1H-indol-3-ylmethyl)-1H-indole
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Structure
Formula
C17H13FN2
Molecular Weight
264.303
Canonical SMILES
Fc1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1
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InChI
InChI=1S/C17H13FN2/c18-13-5-6-17-15(8-13)12(10-20-17)7-11-9-19-16-4-2-1-3-14(11)16/h1-6,8-10,19-20H,7H2
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InChIKey
GAUCZJDSZBGRTC-UHFFFAOYSA-N
Physicochemical Property
logP
4.3791
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
31.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
0
Complexity
20

"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: 137649231
ChEMBL ID
CHEMBL4075099
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)  3
1
EC50 = 264 nM
   TI
   LI
   LO
   TS
2
EC50 = 276 nM
   TI
   LI
   LO
   TS
3
EC50 = 1080 nM
   TI
   LI
   LO
   TS