General Information of the Compound
Compound ID
CP0392300
Compound Name
N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
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Structure
Formula
C21H27N5
Molecular Weight
349.482
Canonical SMILES
CCn1cncc1CNC1(CCCC1)c1nc(c[nH]1)-c1ccc(C)cc1
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InChI
InChI=1S/C21H27N5/c1-3-26-15-22-12-18(26)13-24-21(10-4-5-11-21)20-23-14-19(25-20)17-8-6-16(2)7-9-17/h6-9,12,14-15,24H,3-5,10-11,13H2,1-2H3,(H,23,25)
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InChIKey
RYOPJUGGAJMRGA-UHFFFAOYSA-N
Physicochemical Property
logP
4.16062
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
58.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 122186657
ChEMBL ID
CHEMBL3605815
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: PT01693, Somatostatin receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 4200 nM
   TI
   LI
   LO
   TS
2
Ki = 8600 nM
   TI
   LI
   LO
   TS