General Information of the Compound
Compound ID
CP0388971
Compound Name
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine
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Structure
Formula
C25H26N4
Molecular Weight
382.511
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCc1ccc2ncccc2c1
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InChI
InChI=1S/C25H26N4/c1-18-6-9-20(10-7-18)23-17-27-24(29-23)25(12-2-3-13-25)28-16-19-8-11-22-21(15-19)5-4-14-26-22/h4-11,14-15,17,28H,2-3,12-13,16H2,1H3,(H,27,29)
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InChIKey
ZOTZPKYIRMXEJK-UHFFFAOYSA-N
Physicochemical Property
logP
5.49242
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 122186653
ChEMBL ID
CHEMBL3605811
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 = 1400 nM
   TI
   LI
   LO
   TS
2
Ki = 1400 nM
   TI
   LI
   LO
   TS