COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620981
Chemical Name: (3aS,6aR)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-5-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1C(=NO2)c1cnn(c1C)C

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Molecular Weight: 355.31
Empirical Formula: C16H13N5O5

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 0.065
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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