COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593477
Chemical Name: {4-[(3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-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#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

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Molecular Weight: 457.44
Empirical Formula: C25H19N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.763
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 110
Number of rings: 7

     

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