COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542203
Chemical Name: methyl(3aS,6R,7aR)-2-(4-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Smiles: COC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)Br)O2

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Molecular Weight: 364.2
Empirical Formula: C16H14BrNO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.701
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 4

     

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