COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552856
Chemical Name: 2,2,2-trifluoro-1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cycloheptane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
Smiles: O=C(C(F)(F)F)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCCC2

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Molecular Weight: 329.36
Empirical Formula: C17H22F3NO2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.365
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 29
Number of rings: 4

     

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