COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535205
Chemical Name: (3aR,6S,7aS)-2-[4-(acetylamino)phenyl]-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)c1ccc(cc1)NC(=O)C)O2

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Molecular Weight: 463.49
Empirical Formula: C25H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.825
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 5

     

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