COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001274
Chemical Name: 2-{1-[(8-acetyl-4-nitronaphthalen-1-yl)carbonyl]-3-hexyl-1H-1,2,4-triazol-5-yl}-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: CCCCCCc1nn(c(n1)n1c(=O)c2cccc3c2c(c1=O)ccc3[N+](=O)[O-])C(=O)c1ccc(c2c1c(ccc2)C(=O)C)[N+](=O)[O-]

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Molecular Weight: 634.61
Empirical Formula: C33H26N6O8

Available Amount: 0 mg

Lipinsky:
logP: 5.388
Rotatable bonds: 7
H-donors: 0
H-acceptors: 8
PSA: 193
Number of rings: 6

     

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