General Information of the Compound
Compound ID
CP0420324
Compound Name
N-[(4-methoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
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Structure
Formula
C23H27N3O
Molecular Weight
361.489
Canonical SMILES
COc1ccc(CNC2(CCCC2)c2nc(c[nH]2)-c2ccc(C)cc2)cc1
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InChI
InChI=1S/C23H27N3O/c1-17-5-9-19(10-6-17)21-16-24-22(26-21)23(13-3-4-14-23)25-15-18-7-11-20(27-2)12-8-18/h5-12,16,25H,3-4,13-15H2,1-2H3,(H,24,26)
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InChIKey
WMWUQTXOEORCTN-UHFFFAOYSA-N
Physicochemical Property
logP
4.95282
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
49.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 122186644
ChEMBL ID
CHEMBL3605802
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 = 96 nM
   TI
   LI
   LO
   TS
2
Ki = 32 nM
   TI
   LI
   LO
   TS