COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514042
Chemical Name: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 502.44
Empirical Formula: C25H18N4O8

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.256
Rotatable bonds: 3
H-donors: 2
H-acceptors: 8
PSA: 153
Number of rings: 5

     

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