COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK305135
Chemical Name: 3-[(acetyloxy)methyl]-7-{[(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Smiles: CC(=O)OCC1=C(C(=O)[O-])N2C(SC1)C(C2=O)NC(=O)c1nn(c(c1[N+](=O)[O-])C)C

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Saltdata: Na+
Molecular Weight: 438.4
Empirical Formula: C16H16N5O8S

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: -0.161
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 204
Number of rings: 3

     

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