General Information of the Compound
Compound ID
CP0382152
Compound Name
4-(2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)benzo[d][1,3]dioxol-5-ylsulfonyl)morpholine
    Show/Hide
Structure
Formula
C23H17Cl2F2NO5S
Molecular Weight
528.36
Canonical SMILES
Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
    Show/Hide
InChI
InChI=1S/C23H17Cl2F2NO5S/c24-15-3-6-17(18(25)11-15)23(14-1-4-16(26)5-2-14)32-20-12-19(27)22(13-21(20)33-23)34(29,30)28-7-9-31-10-8-28/h1-6,11-13H,7-10H2
    Show/Hide
InChIKey
SQOVWXPWYAPARK-UHFFFAOYSA-N
Physicochemical Property
logP
4.965
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
65.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
34

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 22475238
SID: 49849877
ChEMBL ID
CHEMBL262857
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 = 3 nM
   TI
   LI
   LO
   TS
2
Ki = 9 nM
   TI
   LI
   LO
   TS