COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536966
Chemical Name: (3aR,6S,7aS)-2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=O)N(C3)c1ccc3c(c1)OCO3)O2

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Molecular Weight: 450.45
Empirical Formula: C24H22N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.822
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 95
Number of rings: 6

     

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