COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553183
Chemical Name: (3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-onehydrochloride
Smiles: O=C1O[C@H]2[C@@H](C1C[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C

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Saltdata: Cl-
Molecular Weight: 479.56
Empirical Formula: C26H34F3N2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.81
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 54
Number of rings: 5

     

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