COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100485
Chemical Name: 3-{[(2E,5Z)-5-(4-hydroxy-3-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)/N=C\1/S/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/C(=O)N1C

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Molecular Weight: 399.38
Empirical Formula: C18H13N3O6S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.042
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 161
Number of rings: 3

     

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