COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543738
Chemical Name: methyl2-[(3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 395.33
Empirical Formula: C19H13N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.634
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 131
Number of rings: 4

     

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