COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547145
Chemical Name: (1aR,4aR,5aR,8S,8aR,9aS)-1a,4a-dimethyl-8-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)octahydro-1aH-oxireno[2',3':4a,5]naphtho[2,3-b]furan-7(8H)-onehydrochloride
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)C[C@@]13[C@](C2)(C)CCC[C@]3(O1)C

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Saltdata: HCl
Molecular Weight: 478.55
Empirical Formula: C26H33F3N2O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.093
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 45
Number of rings: 6

     

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