General Information of the Compound
Compound ID
CP0392304
Compound Name
N-(1H-indol-3-ylmethyl)-1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
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Structure
Formula
C29H28N4
Molecular Weight
432.571
Canonical SMILES
C(NC1(CCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)c1c[nH]c2ccccc12
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InChI
InChI=1S/C29H28N4/c1-2-8-21(9-3-1)22-12-14-23(15-13-22)27-20-31-28(33-27)29(16-6-7-17-29)32-19-24-18-30-26-11-5-4-10-25(24)26/h1-5,8-15,18,20,30,32H,6-7,16-17,19H2,(H,31,33)
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InChIKey
WAJZLDRYOPSXBF-UHFFFAOYSA-N
Physicochemical Property
logP
6.7841
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
56.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
33

"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: 122186632
ChEMBL ID
CHEMBL3605790
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 = 280 nM
   TI
   LI
   LO
   TS
2
Ki = 31 nM
   TI
   LI
   LO
   TS