COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003921
Chemical Name: (3S,3aR,8aR,9aR)-3-((3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC(C(C1)COc1ccc3c(c1)OCO3)c1ccc(cc1)F)CC1=C(C)CCC[C@@]1(C2)C

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Molecular Weight: 561.69
Empirical Formula: C34H40FNO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.943
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 7

     

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