General Information of the Compound
Compound ID
CP0407846
Compound Name
3-[1H-indol-3-yl-(4-methylphenyl)methyl]-1H-indole
    Show/Hide
Structure
Formula
C24H20N2
Molecular Weight
336.438
Canonical SMILES
Cc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
    Show/Hide
InChI
InChI=1S/C24H20N2/c1-16-10-12-17(13-11-16)24(20-14-25-22-8-4-2-6-18(20)22)21-15-26-23-9-5-3-7-19(21)23/h2-15,24-26H,1H3
    Show/Hide
InChIKey
SNHDZSKBARVGQI-UHFFFAOYSA-N
Physicochemical Property
logP
6.13782
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10903823
SID: 15952449
ChEMBL ID
CHEMBL574338
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