General Information of the Compound
Compound ID
CP0899368
Compound Name
2-((2-(difluoromethoxy)pyridin-4-yloxy)methyl)-1,1-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
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Structure
Formula
C14H17F4N3O4S
Molecular Weight
399.366
Canonical SMILES
NS(=O)(=O)N1CCC2(CC1)C(COc1ccnc(OC(F)F)c1)C2(F)F
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InChI
InChI=1S/C14H17F4N3O4S/c15-12(16)25-11-7-9(1-4-20-11)24-8-10-13(14(10,17)18)2-5-21(6-3-13)26(19,22)23/h1,4,7,10,12H,2-3,5-6,8H2,(H2,19,22,23)
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InChIKey
LPZUVCIFLKUDMC-UHFFFAOYSA-N
Physicochemical Property
logP
1.6126
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
94.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 155255895
ChEMBL ID
CHEMBL4751888
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