General Information of the Compound
Compound ID
CP0388970
Compound Name
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
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Structure
Formula
C28H29N3
Molecular Weight
407.561
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C28H29N3/c1-21-9-13-25(14-10-21)26-20-29-27(31-26)28(17-5-6-18-28)30-19-22-11-15-24(16-12-22)23-7-3-2-4-8-23/h2-4,7-16,20,30H,5-6,17-19H2,1H3,(H,29,31)
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InChIKey
URLKHZPSVKVUOF-UHFFFAOYSA-N
Physicochemical Property
logP
6.61122
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
31

"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: 122186652
ChEMBL ID
CHEMBL3605810
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 = 2300 nM
   TI
   LI
   LO
   TS
2
Ki = 160 nM
   TI
   LI
   LO
   TS