COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295136
Chemical Name: 2-(2-methoxy-4-nitrophenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(ccc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 438.31
Empirical Formula: C19H10N4O9

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 2.347
Rotatable bonds: 1
H-donors: 0
H-acceptors: 9
PSA: 184
Number of rings: 4

     

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