General Information of the Compound
Compound ID
CP0387289
Compound Name
3-[1-(1H-indol-3-yl)pentyl]-1H-indole
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Structure
Formula
C21H22N2
Molecular Weight
302.421
Canonical SMILES
CCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
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InChI
InChI=1S/C21H22N2/c1-2-3-8-15(18-13-22-20-11-6-4-9-16(18)20)19-14-23-21-12-7-5-10-17(19)21/h4-7,9-15,22-23H,2-3,8H2,1H3
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InChIKey
DZWXEJKJUCUQAN-UHFFFAOYSA-N
Physicochemical Property
logP
5.9713
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
31.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
0
Complexity
23

"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: 12178423
SID: 85758828
ChEMBL ID
CHEMBL4081624
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