COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531347
Chemical Name: (3S,3aS,4S,4aR,5S,9aR)-3-((6,7-dimethoxy-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Smiles: COc1cc2CN(CC3C(=O)O[C@H]4[C@@H]3[C@H](O)[C@]3(C(=CCC[C@H]3C)C4)C)C(Cc2cc1OC)C

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Molecular Weight: 455.59
Empirical Formula: C27H37NO5

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.04
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 5

     

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