COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL009906
Chemical Name: (3aS,6R)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: OC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2

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Molecular Weight: 329.31
Empirical Formula: C17H15NO6

Physical State: Dry powder
Available Amount: 1014 mg

Lipinsky:
logP: 1.522
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 85
Number of rings: 5

     

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