General Information of the Compound
Compound ID
CP0472264
Compound Name
4-[(1S,3S)-3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
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Structure
Formula
C19H17F2N3O3S
Molecular Weight
405.426
Canonical SMILES
CC1(C)[C@H]([C@@H]1c1ccc(cc1)S(N)(=O)=O)c1noc(n1)-c1c(F)cccc1F
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InChI
InChI=1S/C19H17F2N3O3S/c1-19(2)15(10-6-8-11(9-7-10)28(22,25)26)16(19)17-23-18(27-24-17)14-12(20)4-3-5-13(14)21/h3-9,15-16H,1-2H3,(H2,22,25,26)/t15-,16+/m0/s1
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InChIKey
SGOXMKOKPNQOEZ-JKSUJKDBSA-N
Physicochemical Property
logP
3.5694
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
99.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 130448165
ChEMBL ID
CHEMBL4286080
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 = 110 nM
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