General Information of the Compound
Compound ID
CP0484606
Compound Name
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone
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Structure
Formula
C23H22N4O
Molecular Weight
370.456
Canonical SMILES
CN1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccc2ccccc2c1
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InChI
InChI=1S/C23H22N4O/c1-26-10-12-27(13-11-26)19-8-9-20-21(15-19)25-23(24-20)22(28)18-7-6-16-4-2-3-5-17(16)14-18/h2-9,14-15H,10-13H2,1H3,(H,24,25)
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InChIKey
VQCQZUUOIGMHEA-UHFFFAOYSA-N
Physicochemical Property
logP
3.6989
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
52.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 45488183
SID: 96032583
ChEMBL ID
CHEMBL584272
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 500 nM
   TI
   LI
   LO
   TS