COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590159
Chemical Name: (3aR,4R,4aR,7aS,8R,8aR)-6-(3-chloro-4-fluorophenyl)-3-(3-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N1c1ccc(c(c1)Cl)F)[C@@H]1[C@H]3C(=NO1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 455.83
Empirical Formula: C22H15ClFN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.117
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 104
Number of rings: 6

     

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