General Information of the Compound
Compound ID
CP0099997
Compound Name
5-(pyrrolidin-3-ylmethyl)-1H-imidazole
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Structure
Formula
C8H13N3
Molecular Weight
151.213
Canonical SMILES
C(C1CCNC1)c1c[nH]cn1
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InChI
InChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11)
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InChIKey
YGGBVTGACIFVRB-UHFFFAOYSA-N
Physicochemical Property
logP
0.5617
Rotatable Bonds
2
Heavy Atom Count
11
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
11

"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: 11819221
SID: 16935558
ChEMBL ID
CHEMBL153061
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 = 1.318 nM
   TI
   LI
   LO
   TS
2
Ki = 3.631 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 = 741.31 nM
   TI
   LI
   LO
   TS