General Information of the Compound
Compound ID
CP0458008
Compound Name
(6-methyl-2,2-diphenyl-benzo[1,3]dioxol-5-yl)-morpholin-4-yl-methanone
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Structure
Formula
C25H23NO4
Molecular Weight
401.462
Canonical SMILES
Cc1cc2OC(Oc2cc1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H23NO4/c1-18-16-22-23(17-21(18)24(27)26-12-14-28-15-13-26)30-25(29-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
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InChIKey
SCQIZSIOFTUDQV-UHFFFAOYSA-N
Physicochemical Property
logP
4.13992
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 24828424
SID: 49850039
ChEMBL ID
CHEMBL263129
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 509 nM
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