COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382810
Chemical Name: 2-ethoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl4-nitrobenzenesulfonate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C=C1C(=O)NC(=O)NC1=O

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Molecular Weight: 461.41
Empirical Formula: C19H15N3O9S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 2.335
Rotatable bonds: 5
H-donors: 2
H-acceptors: 9
PSA: 182
Number of rings: 3

     

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