General Information of the Compound
Compound ID
CP0550776
Compound Name
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(3-phenylpropyl)cyclopentan-1-amine
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Structure
Formula
C24H29N3
Molecular Weight
359.517
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCCCc1ccccc1
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InChI
InChI=1S/C24H29N3/c1-19-11-13-21(14-12-19)22-18-25-23(27-22)24(15-5-6-16-24)26-17-7-10-20-8-3-2-4-9-20/h2-4,8-9,11-14,18,26H,5-7,10,15-17H2,1H3,(H,25,27)
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InChIKey
GVISUBQWLGSANK-UHFFFAOYSA-N
Physicochemical Property
logP
5.37682
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 122186640
ChEMBL ID
CHEMBL3605798
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 = 5.2 nM
   TI
   LI
   LO
   TS
2
Ki = 1.3 nM
   TI
   LI
   LO
   TS