COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK836771
Chemical Name: N-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Smiles: S=C1S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1NC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 429.43
Empirical Formula: C18H11N3O6S2

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 3.976
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 171
Number of rings: 4

     

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