COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113368
Chemical Name: N-(1-{(2E)-2-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]hydrazinyl}-3-methyl-1-oxobutan-2-yl)-1,3-benzodioxole-5-carboxamide(non-preferredname)
Smiles: COc1cc(/C=N/NC(=O)C(C(C)C)NC(=O)c2ccc3c(c2)OCO3)c(cc1OCc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 548.55
Empirical Formula: C28H28N4O8

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 5.742
Rotatable bonds: 8
H-donors: 2
H-acceptors: 8
PSA: 153
Number of rings: 4

     

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