COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295304
Chemical Name: 6,7-dinitro-2-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1n(c2ccc(cc2)S(=O)(=O)N2CCCCC2)c(=O)c2c3c1ccc(c3c(cc2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 510.48
Empirical Formula: C23H18N4O8S

Physical State: Dry powder
Available Amount: 287 mg

Lipinsky:
logP: 2.143
Rotatable bonds: 0
H-donors: 0
H-acceptors: 8
PSA: 174
Number of rings: 5

     

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