COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK370360
Chemical Name: 4-[(E)-(2-{[(1,3-benzodioxol-5-ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]-2-methoxy-3-nitrophenylacetate(non-preferredname)
Smiles: COc1c(ccc(c1[N+](=O)[O-])/C=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2)OC(=O)C

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Molecular Weight: 458.38
Empirical Formula: C20H18N4O9

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 2.216
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 170
Number of rings: 3

     

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