COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543358
Chemical Name: (3aR,6aS)-5-(1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 381.3
Empirical Formula: C18H11N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.518
Rotatable bonds: 0
H-donors: 0
H-acceptors: 7
PSA: 123
Number of rings: 5

     

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