General Information of the Compound
Compound ID
CP0529340
Compound Name
(2,2-diphenylbenzo[d][1,3]dioxol-5-yl)(morpholino)methanone
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Structure
Formula
C24H21NO4
Molecular Weight
387.435
Canonical SMILES
O=C(N1CCOCC1)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H21NO4/c26-23(25-13-15-27-16-14-25)18-11-12-21-22(17-18)29-24(28-21,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17H,13-16H2
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InChIKey
YTGUIZSEZJBJRX-UHFFFAOYSA-N
Physicochemical Property
logP
3.8315
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 10452791
SID: 15474402
ChEMBL ID
CHEMBL260284
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)  2
1
EC50 = 784 nM
   TI
   LI
   LO
   TS
2
Ki = 50 nM
   TI
   LI
   LO
   TS