General Information of the Compound
Compound ID
CP0860573
Compound Name
bis(4-methoxy-1H-indol-3-yl)methane
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Structure
Formula
C19H18N2O2
Molecular Weight
306.365
Canonical SMILES
COc1cccc2[nH]cc(Cc3c[nH]c4cccc(OC)c34)c12
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InChI
InChI=1S/C19H18N2O2/c1-22-16-7-3-5-14-18(16)12(10-20-14)9-13-11-21-15-6-4-8-17(23-2)19(13)15/h3-8,10-11,20-21H,9H2,1-2H3
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InChIKey
XKPRSAFEXKQDCI-UHFFFAOYSA-N
Physicochemical Property
logP
4.2572
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
50.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 44244396
SID: 85264874
ChEMBL ID
CHEMBL574467
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