General Information of the Compound
Compound ID
CP0508581
Compound Name
N,N-diethyl-2-[2-(4-methoxyphenyl)-4,6-dimethylbenzimidazol-1-yl]acetamide
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Structure
Formula
C22H27N3O2
Molecular Weight
365.477
Canonical SMILES
CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)cc12)-c1ccc(OC)cc1
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InChI
InChI=1S/C22H27N3O2/c1-6-24(7-2)20(26)14-25-19-13-15(3)12-16(4)21(19)23-22(25)17-8-10-18(27-5)11-9-17/h8-13H,6-7,14H2,1-5H3
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InChIKey
SJPVZIDWKSNHDB-UHFFFAOYSA-N
Physicochemical Property
logP
4.19714
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 122196424
ChEMBL ID
CHEMBL3634877
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 224.46 nM
   TI
   LI
   LO
   TS
CL000552 T98G Homo sapiens (Human)  1
1
Ki = 398.18 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 874.2 nM
   TI
   LI
   LO
   TS