COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535406
Chemical Name: (3aS,6R)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-N-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2)NCc1ccncc1

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Molecular Weight: 419.44
Empirical Formula: C23H21N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.056
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 6

     

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