COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807127
Chemical Name: 4-nitrobenzyl(2E)-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)but-2-enoate
Smiles: O=C(OCc1ccc(cc1)[N+](=O)[O-])/C=C/Cn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 416.39
Empirical Formula: C23H16N2O6

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.229
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 109
Number of rings: 4

     

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