COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL477173
Chemical Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-{[(2-bromophenyl)amino]methyl}-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc3c(c2)OCO3)/C(=O)N1CNc1ccccc1Br

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Molecular Weight: 449.35
Empirical Formula: C18H13BrN2O3S2

Physical State: Dry powder
Available Amount: 646 mg

Lipinsky:
logP: 3.861
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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