COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598107
Chemical Name: ethyl4-{(3aR,4R,4aR,7aS,8R,8aR)-5,7-dioxo-3-[4-(prop-2-en-1-yloxy)phenyl]-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}benzoate
Smiles: C=CCOc1ccc(cc1)C1=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: 486.52
Empirical Formula: C28H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.527
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 94
Number of rings: 6

     

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