COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL400011
Chemical Name: 3-[(acetyloxy)methyl]-7-{[3-(4-bromo-3-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
Smiles: O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CCn1cc(c(n1)[N+](=O)[O-])Br

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Molecular Weight: 518.3
Empirical Formula: C16H16BrN5O8S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.178
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 201
Number of rings: 3

     

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