General Information of the Compound
Compound ID
CP0497954
Compound Name
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
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Structure
Formula
C12H21N3
Molecular Weight
207.321
Canonical SMILES
CC(C)N1CCC(Cc2c[nH]cn2)CC1
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InChI
InChI=1S/C12H21N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14)
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InChIKey
FYVNUXLQHUNBRX-UHFFFAOYSA-N
Physicochemical Property
logP
2.0726
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 11210869
ChEMBL ID
CHEMBL176105
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  2
1
EC50 = 7.943 nM
   TI
   LI
   LO
   TS
2
Ki = 63.1 nM
   TI
   LI
   LO
   TS