COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589392
Chemical Name: {2-[(3aR,4R,4aR,7aS,8R,8aR)-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)NC2=O

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Molecular Weight: 337.33
Empirical Formula: C18H15N3O4

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 0.728
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 5

     

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