COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546533
Chemical Name: (3aS,6R,7aR)-1-oxo-2-(1-phenylethyl)-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: C=CCC1N(C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)O)C(c1ccccc1)C

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Molecular Weight: 339.39
Empirical Formula: C20H21NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.294
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 66
Number of rings: 4

     

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