General Information of the Compound
Compound ID
CP0905764
Compound Name
1-(2-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-1-(2-(diethylamino)ethyl)-1H-benzo[d]imidazol-5-yl)ethanone
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Structure
Formula
C22H26N6O
Molecular Weight
390.491
Canonical SMILES
CCN(CC)CCn1c(Cn2nnc3ccccc32)nc2cc(C(C)=O)ccc21
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InChI
InChI=1S/C22H26N6O/c1-4-26(5-2)12-13-27-20-11-10-17(16(3)29)14-19(20)23-22(27)15-28-21-9-7-6-8-18(21)24-25-28/h6-11,14H,4-5,12-13,15H2,1-3H3
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InChIKey
CSUDVXDXBMREDO-UHFFFAOYSA-N
Physicochemical Property
logP
3.3737
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
68.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 6481606
ChEMBL ID
CHEMBL4560805
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