General Information of the Compound
Compound ID
CP0392307
Compound Name
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
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Structure
Formula
C20H25N5
Molecular Weight
335.455
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCc1cnn(C)c1
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InChI
InChI=1S/C20H25N5/c1-15-5-7-17(8-6-15)18-13-21-19(24-18)20(9-3-4-10-20)22-11-16-12-23-25(2)14-16/h5-8,12-14,22H,3-4,9-11H2,1-2H3,(H,21,24)
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InChIKey
VWRWNNAPCOOXIS-UHFFFAOYSA-N
Physicochemical Property
logP
3.67772
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
58.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 122186656
ChEMBL ID
CHEMBL3605814
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 = 3700 nM
   TI
   LI
   LO
   TS
2
Ki = 3400 nM
   TI
   LI
   LO
   TS