COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060206
Chemical Name: (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)N1C(=S)S/C(=C\c2cc3OCOc3cc2Br)/C1=O

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Molecular Weight: 450.33
Empirical Formula: C18H12BrNO4S2

Physical State: Dry powder
Available Amount: 472 mg

Lipinsky:
logP: 5.398
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 105
Number of rings: 4

     

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