General Information of the Compound
Compound ID
CP0961898
Compound Name
(R)-1-((5-chloro-2-methoxyphenylamino)methyl)-6-azaspiro[2.5]octane-6-sulfonamide
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Structure
Formula
C15H22ClN3O3S
Molecular Weight
359.879
Canonical SMILES
COc1ccc(Cl)cc1NC[C@@H]1CC12CCN(S(N)(=O)=O)CC2
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InChI
InChI=1S/C15H22ClN3O3S/c1-22-14-3-2-12(16)8-13(14)18-10-11-9-15(11)4-6-19(7-5-15)23(17,20)21/h2-3,8,11,18H,4-7,9-10H2,1H3,(H2,17,20,21)/t11-/m0/s1
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InChIKey
BSRNVKLQQHLHLE-NSHDSACASA-N
Physicochemical Property
logP
2.0661
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
84.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 155255838
ChEMBL ID
CHEMBL4756575
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