General Information of the Compound
Compound ID
CP0569022
Compound Name
1-benzyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
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Structure
Formula
C17H19N5
Molecular Weight
293.374
Canonical SMILES
C(c1ccccc1)n1cnc2c(nccc12)N1CCNCC1
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InChI
InChI=1S/C17H19N5/c1-2-4-14(5-3-1)12-22-13-20-16-15(22)6-7-19-17(16)21-10-8-18-9-11-21/h1-7,13,18H,8-12H2
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InChIKey
YFJRNYHRQIDJOF-UHFFFAOYSA-N
Physicochemical Property
logP
1.8892
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
45.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 125513586
ChEMBL ID
CHEMBL4173336
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 = 450 nM
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