General Information of the Compound
Compound ID
CP0496959
Compound Name
(1-((1-Methyl-1H-imidazol-2-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
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Structure
Formula
C22H27N3O
Molecular Weight
349.478
Canonical SMILES
Cn1ccnc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
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InChI
InChI=1S/C22H27N3O/c1-21(2)20(22(21,3)4)19(26)16-14-25(17-9-7-6-8-15(16)17)12-10-18-23-11-13-24(18)5/h6-9,11,13-14,20H,10,12H2,1-5H3
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InChIKey
BYPMRDDODQUEJN-UHFFFAOYSA-N
Physicochemical Property
logP
4.4824
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
39.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 45486235
ChEMBL ID
CHEMBL568755
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
EC50 = 1619 nM
   TI
   LI
   LO
   TS