COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521868
Chemical Name: 2-ethoxy-6-nitro-4-{(Z)-[5-oxo-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-4(5H)-ylidene]methyl}phenylacetate
Smiles: C=CCSC1=N/C(=C\c2cc(OCC)c(c(c2)[N+](=O)[O-])OC(=O)C)/C(=O)S1

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Molecular Weight: 408.46
Empirical Formula: C17H16N2O6S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.66
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 161
Number of rings: 2

     

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