COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547588
Chemical Name: (2R)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butan-1-one
Smiles: CSCC[C@H](C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O)n1cccc1

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Molecular Weight: 336.5
Empirical Formula: C18H28N2O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.972
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 3

     

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