COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001993
Chemical Name: 4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl2-nitrobenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C=C1C(=O)N(C)C(=O)N(C1=O)C

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Molecular Weight: 475.44
Empirical Formula: C20H17N3O9S

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 1.143
Rotatable bonds: 5
H-donors: 0
H-acceptors: 9
PSA: 164
Number of rings: 3

     

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