COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526041
Chemical Name: (8R,8aS,13aR)-8-(2,2-dimethylpropanoyl)-8,8a,9,10,13a,13b-hexahydro-9,12-epoxyoxepino[4',5':3,4]pyrrolo[2,1-a]isoquinolin-13(12H)-one
Smiles: O=C1C2OCC(O2)[C@H]2[C@@H]1C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

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Molecular Weight: 353.42
Empirical Formula: C21H23NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.145
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 5

     

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