COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK375145
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(2-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)[N+](=O)[O-]

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Molecular Weight: 504.46
Empirical Formula: C25H20N4O8

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 5.753
Rotatable bonds: 5
H-donors: 3
H-acceptors: 8
PSA: 164
Number of rings: 4

     

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