COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513899
Chemical Name: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 639.58
Empirical Formula: C32H25N5O10

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 6.01
Rotatable bonds: 7
H-donors: 2
H-acceptors: 10
PSA: 199
Number of rings: 5

     

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