COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL443349
Chemical Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-{[(3-nitrophenyl)amino]methyl}-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1CNc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 399.38
Empirical Formula: C18H13N3O6S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 4.003
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 138
Number of rings: 4

     

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