COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006000
Chemical Name: ethyl(3aS,6R,7aR)-2-(butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Smiles: CCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C(CC)C)O2

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Molecular Weight: 279.34
Empirical Formula: C15H21NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.326
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 3

     

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