General Information of the Compound
Compound ID
CP0175046
Compound Name
N-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide
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Structure
Formula
C19H30N2O2
Molecular Weight
318.461
Canonical SMILES
CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1C
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InChI
InChI=1S/C19H30N2O2/c1-6-19(4,5)18(22)20-17-12-16(14(2)11-15(17)3)13-21-7-9-23-10-8-21/h11-12H,6-10,13H2,1-5H3,(H,20,22)
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InChIKey
FKZSVWKTRYJUIZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.51034
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 45484720
ChEMBL ID
CHEMBL567924
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 500 nM
   TI
   LI
   LO
   TS
2
Ki = 530 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 530 nM