COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427888
Chemical Name: methyl4-{2-methoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)C

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Molecular Weight: 460.49
Empirical Formula: C20H16N2O7S2

Physical State: Dry powder
Available Amount: 152 mg

Lipinsky:
logP: 2.154
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 168
Number of rings: 3

     

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