COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598844
Chemical Name: [(1R,4aS,8aS)-1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3,4,5-triethoxyphenyl)methanone
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)N1CC[C@@]2([C@H]([C@@H]1c1ccc(cc1)F)CCCC2)O

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Molecular Weight: 485.6
Empirical Formula: C28H36FNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.205
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 4

     

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