COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532748
Chemical Name: (3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-((4-(m-tolyl)piperazin-1-yl)methyl)-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C

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Molecular Weight: 424.58
Empirical Formula: C26H36N2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.948
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 5

     

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