General Information of the Compound
Compound ID
CP0566638
Compound Name
4-[(1S,3S)-3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
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Structure
Formula
C18H23N3O3S
Molecular Weight
361.467
Canonical SMILES
CC1(C)[C@H]([C@@H]1c1ccc(cc1)S(N)(=O)=O)c1noc(n1)C1CCCC1
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InChI
InChI=1S/C18H23N3O3S/c1-18(2)14(11-7-9-13(10-8-11)25(19,22)23)15(18)16-20-17(24-21-16)12-5-3-4-6-12/h7-10,12,14-15H,3-6H2,1-2H3,(H2,19,22,23)/t14-,15+/m0/s1
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InChIKey
OUSANCUVLOSJHW-LSDHHAIUSA-N
Physicochemical Property
logP
3.2818
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
99.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 130448288
ChEMBL ID
CHEMBL4290583
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 = 69 nM
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