COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK281028
Chemical Name: 4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-3-nitrobenzonitrile
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])/C=N/N1C(=O)C2C(C1=O)C1CCC2C=C1

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Molecular Weight: 350.33
Empirical Formula: C18H14N4O4

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 1.583
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 5

     

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