General Information of the Compound
Compound ID
CP0388968
Compound Name
N-(1H-indol-2-ylmethyl)-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
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Structure
Formula
C24H26N4
Molecular Weight
370.5
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCc1cc2ccccc2[nH]1
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InChI
InChI=1S/C24H26N4/c1-17-8-10-18(11-9-17)22-16-25-23(28-22)24(12-4-5-13-24)26-15-20-14-19-6-2-3-7-21(19)27-20/h2-3,6-11,14,16,26-27H,4-5,12-13,15H2,1H3,(H,25,28)
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InChIKey
MLPVEEUHZPMLTR-UHFFFAOYSA-N
Physicochemical Property
logP
5.42552
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
56.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 122186637
ChEMBL ID
CHEMBL3605795
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 = 15 nM
   TI
   LI
   LO
   TS
2
Ki = 4.9 nM
   TI
   LI
   LO
   TS