General Information of the Compound
Compound ID
CP0851693
Compound Name
bis(5-methyl-1H-indol-3-yl)methane
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Structure
Formula
C19H18N2
Molecular Weight
274.367
Canonical SMILES
Cc1ccc2[nH]cc(Cc3c[nH]c4ccc(C)cc34)c2c1
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InChI
InChI=1S/C19H18N2/c1-12-3-5-18-16(7-12)14(10-20-18)9-15-11-21-19-6-4-13(2)8-17(15)19/h3-8,10-11,20-21H,9H2,1-2H3
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InChIKey
QXRRIIRICIOADU-UHFFFAOYSA-N
Physicochemical Property
logP
4.85684
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
31.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
0
Complexity
21

"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: 9856798
SID: 14819894
ChEMBL ID
CHEMBL4093996
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