General Information of the Compound
Compound ID
CP0529379
Compound Name
4-[(1R,2R)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropyl]benzenesulfonamide
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Structure
Formula
C19H18N2O2S2
Molecular Weight
370.499
Canonical SMILES
Cc1sc(nc1-c1ccccc1)[C@@H]1C[C@H]1c1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C19H18N2O2S2/c1-12-18(14-5-3-2-4-6-14)21-19(24-12)17-11-16(17)13-7-9-15(10-8-13)25(20,22)23/h2-10,16-17H,11H2,1H3,(H2,20,22,23)/t16-,17+/m0/s1
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InChIKey
GVIVVECZNBJYEW-DLBZAZTESA-N
Physicochemical Property
logP
4.03702
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
73.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 130448447
ChEMBL ID
CHEMBL4294379
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 = 71 nM
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