COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK105727
Chemical Name: N-(1-{(2E)-2-[4-(benzyloxy)-3-nitrobenzylidene]hydrazinyl}-3-methyl-1-oxobutan-2-yl)-1,3-benzodioxole-5-carboxamide(non-preferredname)
Smiles: CC(C(C(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1)NC(=O)c1ccc2c(c1)OCO2)C

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Molecular Weight: 518.53
Empirical Formula: C27H26N4O7

Physical State: Dry powder
Available Amount: 212 mg

Lipinsky:
logP: 4.955
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 144
Number of rings: 4

     

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