COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK305185
Chemical Name: 3-[(acetyloxy)methyl]-7-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Smiles: O=C(NC1C(=O)N2C1SCC(=C2C(=O)[O-])COC(=O)C)CCn1nc(c(c1C)Br)C

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Saltdata: Na+
Molecular Weight: 500.35
Empirical Formula: C18H20BrN4O6S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.398
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 158
Number of rings: 3

     

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