COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592337
Chemical Name: ethyl4-{(3aR,4R,4aR,7aS,8R,8aR)-3-[2-(cyanomethoxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}benzoate
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)OCC

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Molecular Weight: 485.5
Empirical Formula: C27H23N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.41
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 118
Number of rings: 6

     

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