COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383110
Chemical Name: N-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanamide
Smiles: CC(CC(=O)Nn1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)Br)C

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Molecular Weight: 420.22
Empirical Formula: C17H14BrN3O5

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 2.334
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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