COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK579361
Chemical Name: {2-[(3aR,4R,4aR,7aS,8R,8aR)-6-(3-chloro-4-fluorophenyl)-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)N(C2=O)c1ccc(c(c1)Cl)F

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Molecular Weight: 465.87
Empirical Formula: C24H17ClFN3O4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 2.991
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 6

     

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