COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669840
Chemical Name: 2-{4-[(2-hydroxyethyl)sulfonyl]phenyl}-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCS(=O)(=O)c1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 471.4
Empirical Formula: C20H13N3O9S

Physical State: Dry powder
Available Amount: 13 mg

Lipinsky:
logP: -0.056
Rotatable bonds: 3
H-donors: 1
H-acceptors: 9
PSA: 191
Number of rings: 4

     

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