COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581110
Chemical Name: (3aR,4R,4aR,7aS,8R,8aR)-3-(3,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

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Molecular Weight: 486.45
Empirical Formula: C25H21F3N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.606
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 77
Number of rings: 6

     

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