COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047059
Chemical Name: 7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Smiles: O=C1C(NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)C2N1C(=C(CS2)C[n+]1ccccc1)C(=O)[O-]

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Molecular Weight: 546.58
Empirical Formula: C22H22N6O7S2

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: -2.837
Rotatable bonds: 8
H-donors: 4
H-acceptors: 7
PSA: 244
Number of rings: 4

     

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