COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379346
Chemical Name: 4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl3-nitrobenzenesulfonate
Smiles: O=C1NC(=O)C(=Cc2ccc(cc2)OS(=O)(=O)c2cccc(c2)[N+](=O)[O-])C(=O)N1

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Molecular Weight: 417.36
Empirical Formula: C17H11N3O8S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 2.204
Rotatable bonds: 2
H-donors: 2
H-acceptors: 8
PSA: 172
Number of rings: 3

     

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