COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004914
Chemical Name: 2-methoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl2-nitrobenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C=C1C(=O)NC(=O)NC1=O

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Molecular Weight: 447.38
Empirical Formula: C18H13N3O9S

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 1.618
Rotatable bonds: 5
H-donors: 2
H-acceptors: 9
PSA: 182
Number of rings: 3

     

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