General Information of the Compound
Compound ID
CP0483997
Compound Name
(6-fluoro-2,2-bis(4-fluorophenyl)benzo[d][1,3]dioxol-5-yl)(morpholino)methanone
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Structure
Formula
C24H18F3NO4
Molecular Weight
441.405
Canonical SMILES
Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(F)cc1
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InChI
InChI=1S/C24H18F3NO4/c25-17-5-1-15(2-6-17)24(16-3-7-18(26)8-4-16)31-21-13-19(20(27)14-22(21)32-24)23(29)28-9-11-30-12-10-28/h1-8,13-14H,9-12H2
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InChIKey
IUWDZTKHESQPPS-UHFFFAOYSA-N
Physicochemical Property
logP
4.2488
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 22475173
SID: 49849726
ChEMBL ID
CHEMBL259699
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 = 18 nM
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