COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564383
Chemical Name: (3S,3aR,5S,8aR,9aR)-3-((4-(benzo[d][1,3]dioxol-5-yl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc3c(c1)OCO3)C=C1[C@](C2)(C)CCC[C@@H]1C

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Molecular Weight: 438.57
Empirical Formula: C26H34N2O4

Physical State: Liquid
Available Amount: 10 mg

Lipinsky:
logP: 4.709
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 51
Number of rings: 6

     

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