COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK662672
Chemical Name: 7-(4-bromophenyl)-2-thioxo-1,3-benzoxathiol-5-yl(2E)-3-(4-methoxyphenyl)prop-2-enoate
Smiles: COc1ccc(cc1)/C=C/C(=O)Oc1cc2sc(=S)oc2c(c1)c1ccc(cc1)Br

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Molecular Weight: 499.41
Empirical Formula: C23H15BrO4S2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.17
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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