COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531665
Chemical Name: N-{2-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethyl}benzamide
Smiles: COc1ccc(c(c1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)CNC(=O)c1ccccc1)OC

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Molecular Weight: 452.55
Empirical Formula: C26H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.148
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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