General Information of the Compound
Compound ID
CP0870378
Compound Name
2-(2-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-5-methyl-1H-benzo[d]imidazol-1-yl)-N,N-dimethylethanamine
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Structure
Formula
C19H22N6
Molecular Weight
334.427
Canonical SMILES
Cc1ccc2c(c1)nc(Cn1nnc3ccccc31)n2CCN(C)C
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InChI
InChI=1S/C19H22N6/c1-14-8-9-17-16(12-14)20-19(24(17)11-10-23(2)3)13-25-18-7-5-4-6-15(18)21-22-25/h4-9,12H,10-11,13H2,1-3H3
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InChIKey
RVPAQRWGBZXHFG-UHFFFAOYSA-N
Physicochemical Property
logP
2.69932
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
51.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 155529628
ChEMBL ID
CHEMBL4463130
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS