COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538882
Chemical Name: 3-(6-bromo-1H-indol-1-yl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]propan-1-one
Smiles: Brc1ccc2c(c1)n(CCC(=O)N1CC[C@@]3([C@H](C1)CCCC3)O)cc2

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Molecular Weight: 405.33
Empirical Formula: C20H25BrN2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.992
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 45
Number of rings: 4

     

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