COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513842
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(4-methoxy-3-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1

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Molecular Weight: 488.46
Empirical Formula: C25H20N4O7

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.238
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 144
Number of rings: 4

     

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