General Information of the Compound
Compound ID
CP0427964
Compound Name
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(pyridin-4-ylmethyl)cyclopentan-1-amine
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Structure
Formula
C21H24N4
Molecular Weight
332.451
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCc1ccncc1
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InChI
InChI=1S/C21H24N4/c1-16-4-6-18(7-5-16)19-15-23-20(25-19)21(10-2-3-11-21)24-14-17-8-12-22-13-9-17/h4-9,12-13,15,24H,2-3,10-11,14H2,1H3,(H,23,25)
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InChIKey
YYBRXJPSUBKFGG-UHFFFAOYSA-N
Physicochemical Property
logP
4.33922
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 122186649
ChEMBL ID
CHEMBL3605807
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 = 5600 nM
   TI
   LI
   LO
   TS