General Information of the Compound
Compound ID
CP0392301
Compound Name
N-(1H-indol-3-ylmethyl)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]propan-2-amine
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Structure
Formula
C22H24N4
Molecular Weight
344.462
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C(C)(C)NCc1c[nH]c2ccccc12
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InChI
InChI=1S/C22H24N4/c1-15-8-10-16(11-9-15)20-14-24-21(26-20)22(2,3)25-13-17-12-23-19-7-5-4-6-18(17)19/h4-12,14,23,25H,13H2,1-3H3,(H,24,26)
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InChIKey
QLWJPUFIHVDQIC-UHFFFAOYSA-N
Physicochemical Property
logP
4.89132
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
56.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 122186624
ChEMBL ID
CHEMBL3605782
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 = 390 nM
   TI
   LI
   LO
   TS
2
Ki = 180 nM
   TI
   LI
   LO
   TS