COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK606902
Chemical Name: (3aS,6R)-2-(1,3-benzodioxol-5-yl)-N-(2,2-dimethoxyethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COC(CNC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)OC

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Molecular Weight: 402.4
Empirical Formula: C20H22N2O7

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 1.381
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 95
Number of rings: 5

     

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