COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK384933
Chemical Name: 3-[(acetyloxy)methyl]-7-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
Smiles: CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(c(c1C)Br)C(F)(F)F)C

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Molecular Weight: 555.33
Empirical Formula: C18H18BrF3N4O6S

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 2.976
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 156
Number of rings: 3

     

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