General Information of the Compound
Compound ID
CP0400462
Compound Name
4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole
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Structure
Formula
C15H19N5
Molecular Weight
269.352
Canonical SMILES
C(Cn1c2ccccc2n2ncnc12)N1CCCCC1
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InChI
InChI=1S/C15H19N5/c1-4-8-18(9-5-1)10-11-19-13-6-2-3-7-14(13)20-15(19)16-12-17-20/h2-3,6-7,12H,1,4-5,8-11H2
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InChIKey
MMWJPRSBOSCWBE-UHFFFAOYSA-N
Physicochemical Property
logP
2.1699
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
38.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 873049
ChEMBL ID
CHEMBL1923531
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 4168.69 nM
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