General Information of the Compound
Compound ID
CP0387285
Compound Name
3-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
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Structure
Formula
C23H17FN2
Molecular Weight
340.401
Canonical SMILES
Fc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
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InChI
InChI=1S/C23H17FN2/c24-16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H
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InChIKey
UPWBKBBTHMGKEI-UHFFFAOYSA-N
Physicochemical Property
logP
5.9685
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
31.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
0
Complexity
26

"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: 11359757
SID: 16452127
ChEMBL ID
CHEMBL4100585
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
   TI
   LI
   LO
   TS