COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553326
Chemical Name: (3aS,6R)-2-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1[C@@H]2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2

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Molecular Weight: 420.42
Empirical Formula: C23H20N2O6

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.747
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 86
Number of rings: 6

     

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