COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596143
Chemical Name: (3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 447.4
Empirical Formula: C23H17N3O7

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 1.889
Rotatable bonds: 0
H-donors: 0
H-acceptors: 7
PSA: 123
Number of rings: 7

     

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