COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK747964
Chemical Name: 3-[(2E)-2-(3-bromo-4-methoxybenzylidene)-1-methylhydrazinyl]-6-nitro-1,2-benzothiazole1,1-dioxide
Smiles: COc1ccc(cc1Br)/C=N/N(C1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-])C

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Molecular Weight: 453.27
Empirical Formula: C16H13BrN4O5S

Physical State: Dry powder
Available Amount: 465 mg

Lipinsky:
logP: 3.094
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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