General Information of the Compound
Compound ID
CP0420329
Compound Name
N-(1H-indol-3-ylmethyl)-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine
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Structure
Formula
C23H24N4
Molecular Weight
356.473
Canonical SMILES
Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCC1)NCc1c[nH]c2ccccc12
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InChI
InChI=1S/C23H24N4/c1-16-7-9-17(10-8-16)21-15-25-22(27-21)23(11-4-12-23)26-14-18-13-24-20-6-3-2-5-19(18)20/h2-3,5-10,13,15,24,26H,4,11-12,14H2,1H3,(H,25,27)
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InChIKey
YXMKBKUMFZIOMD-UHFFFAOYSA-N
Physicochemical Property
logP
5.03542
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
56.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 122186626
ChEMBL ID
CHEMBL3605784
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 = 160 nM
   TI
   LI
   LO
   TS
2
Ki = 51 nM
   TI
   LI
   LO
   TS