COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728431
Chemical Name: 2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl3,4-dinitrobenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 514.49
Empirical Formula: C22H14N2O9S2

Physical State: Dry powder
Available Amount: 361 mg

Lipinsky:
logP: 4.754
Rotatable bonds: 5
H-donors: 0
H-acceptors: 9
PSA: 194
Number of rings: 4

     

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