COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552848
Chemical Name: 1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cyclohexane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
Smiles: CC(=O)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCC2

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Molecular Weight: 261.36
Empirical Formula: C16H23NO2

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.277
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 29
Number of rings: 4

     

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