COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538535
Chemical Name: 4-{[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]carbonyl}-2-(propan-2-yl)isoquinolin-1(2H)-one
Smiles: O=C(c1cn(C(C)C)c(=O)c2c1cccc2)N1CC[C@@]2([C@H](C1)CCCC2)O

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Molecular Weight: 368.48
Empirical Formula: C22H28N2O3

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.619
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 60
Number of rings: 4

     

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