General Information of the Compound
Compound ID
CP0957772
Compound Name
1,1-difluoro-2-((5-phenyl-1,2,4-oxadiazol-3-yloxy)methyl)-6-azaspiro[2.5]octane-6-sulfonamide
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Structure
Formula
C16H18F2N4O4S
Molecular Weight
400.407
Canonical SMILES
NS(=O)(=O)N1CCC2(CC1)C(COc1noc(-c3ccccc3)n1)C2(F)F
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InChI
InChI=1S/C16H18F2N4O4S/c17-16(18)12(15(16)6-8-22(9-7-15)27(19,23)24)10-25-14-20-13(26-21-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,19,23,24)
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InChIKey
ZJCJJUZLHDLGBL-UHFFFAOYSA-N
Physicochemical Property
logP
1.6662
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
111.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 155255854
ChEMBL ID
CHEMBL4785822
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 <= 100 nM
   TI
   LI
   LO
   TS