COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL494964
Chemical Name: 2-{(E)-[1-(3-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenylbenzenesulfonate
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 493.45
Empirical Formula: C23H15N3O8S

Physical State: Dry powder
Available Amount: 367 mg

Lipinsky:
logP: 3.225
Rotatable bonds: 3
H-donors: 1
H-acceptors: 8
PSA: 164
Number of rings: 4

     

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