General Information of the Compound
Compound ID
CP0430771
Compound Name
(1-(2-(4-Methylpiperazin-1-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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Structure
Formula
C23H33N3O
Molecular Weight
367.537
Canonical SMILES
CN1CCN(CCn2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc23)CC1
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InChI
InChI=1S/C23H33N3O/c1-22(2)21(23(22,3)4)20(27)18-16-26(19-9-7-6-8-17(18)19)15-14-25-12-10-24(5)11-13-25/h6-9,16,21H,10-15H2,1-5H3
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InChIKey
SPACSAKNWLXMOR-UHFFFAOYSA-N
Physicochemical Property
logP
3.7536
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
28.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 11559687
SID: 16661952
ChEMBL ID
CHEMBL570909
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS