General Information of the Compound
Compound ID
CP0957454
Compound Name
(R)-N-(5-chloro-2-methoxyphenyl)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxamide
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Structure
Formula
C15H18ClF2N3O4S
Molecular Weight
409.842
Canonical SMILES
COc1ccc(Cl)cc1NC(=O)[C@@H]1C(F)(F)C12CCN(S(N)(=O)=O)CC2
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InChI
InChI=1S/C15H18ClF2N3O4S/c1-25-11-3-2-9(16)8-10(11)20-13(22)12-14(15(12,17)18)4-6-21(7-5-14)26(19,23)24/h2-3,8,12H,4-7H2,1H3,(H,20,22)(H2,19,23,24)/t12-/m0/s1
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InChIKey
GFLKORPMBVPPDB-LBPRGKRZSA-N
Physicochemical Property
logP
1.8379
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
101.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 155255952
ChEMBL ID
CHEMBL4779753
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