General Information of the Compound
Compound ID
CP0402092
Compound Name
N-(cyclohexylmethyl)-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
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Structure
Formula
C22H31N3
Molecular Weight
337.511
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCC1CCCCC1
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InChI
InChI=1S/C22H31N3/c1-17-9-11-19(12-10-17)20-16-23-21(25-20)22(13-5-6-14-22)24-15-18-7-3-2-4-8-18/h9-12,16,18,24H,2-8,13-15H2,1H3,(H,23,25)
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InChIKey
HVFARNUHQAWEEP-UHFFFAOYSA-N
Physicochemical Property
logP
5.32432
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 122186654
ChEMBL ID
CHEMBL3605812
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 = 34 nM
   TI
   LI
   LO
   TS
2
Ki = 27 nM
   TI
   LI
   LO
   TS