General Information of the Compound
Compound ID
CP0902324
Compound Name
1-[2-(Diethylamino)ethyl]-2-(4-ethoxybenzyl)-5-(1-hydrazonoethyl)-1H-benzimidazole
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Structure
Formula
C24H33N5O
Molecular Weight
407.562
Canonical SMILES
CCOc1ccc(Cc2nc3cc(/C(C)=N\N)ccc3n2CCN(CC)CC)cc1
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InChI
InChI=1S/C24H33N5O/c1-5-28(6-2)14-15-29-23-13-10-20(18(4)27-25)17-22(23)26-24(29)16-19-8-11-21(12-9-19)30-7-3/h8-13,17H,5-7,14-16,25H2,1-4H3/b27-18-
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InChIKey
GNMJJFZGHSZBHN-IMRQLAEWSA-N
Physicochemical Property
logP
4.0503
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
68.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 155527699
ChEMBL ID
CHEMBL4460499
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