COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545869
Chemical Name: (1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-2-(4-methylbenzyl)octahydroisoquinolin-4a(2H)-ol
Smiles: Cc1ccc(cc1)CN1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)O

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Molecular Weight: 379.5
Empirical Formula: C24H29NO3

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.318
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 41
Number of rings: 5

     

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