General Information of the Compound
Compound ID
CP0418655
Compound Name
(1-(2-(1-methylpiperidin-4-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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Structure
Formula
C24H34N2O
Molecular Weight
366.549
Canonical SMILES
CN1CCC(CCn2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc23)CC1
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InChI
InChI=1S/C24H34N2O/c1-23(2)22(24(23,3)4)21(27)19-16-26(20-9-7-6-8-18(19)20)15-12-17-10-13-25(5)14-11-17/h6-9,16-17,22H,10-15H2,1-5H3
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InChIKey
RROKKCWHZJTZKH-UHFFFAOYSA-N
Physicochemical Property
logP
5.2381
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 44626510
SID: 87553639
ChEMBL ID
CHEMBL570650
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
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