COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531741
Chemical Name: (3S,3aR,8aR,9aR)-3-((4-benzyl-4-hydroxypiperidin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-oneoxalate
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)(O)Cc1ccccc1)CC1=C(C)CCC[C@@]1(C2)C

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Saltdata: (COOH)2
Molecular Weight: 423.6
Empirical Formula: C27H37NO3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.697
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 5

     

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