COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594112
Chemical Name: [(3aR,4R,4aR,7aS,8R,8aR)-3-(3,4-dimethoxyphenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]aceticacid
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)CC(=O)O

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Molecular Weight: 400.39
Empirical Formula: C20H20N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.733
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 114
Number of rings: 5

     

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