COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK768211
Chemical Name: N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-1,3-benzodioxole-5-carboxamide
Smiles: OCCSc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(c1)[N+](=O)[O-]

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Molecular Weight: 362.36
Empirical Formula: C16H14N2O6S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.336
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 138
Number of rings: 3

     

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