COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527712
Chemical Name: (3S,3aR,8aR,9aR)-5,8a-dimethyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-onehydrochloride
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1=C(C)CCC[C@@]1(C2)C

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Saltdata: HCl
Molecular Weight: 462.56
Empirical Formula: C26H33F3N2O2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 6.158
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 32
Number of rings: 5

     

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