COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563287
Chemical Name: (4E)-5-(3-bromophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)Br)/C(=C(/c2ccc(cc2)OC)\O)/C(=O)C1=O

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Molecular Weight: 565.44
Empirical Formula: C27H21BrN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.793
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 5

     

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