COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514047
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 524.49
Empirical Formula: C28H20N4O7

Physical State: Dry powder
Available Amount: 441 mg

Lipinsky:
logP: 5.464
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 147
Number of rings: 5

     

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