COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL461118
Chemical Name: 3-benzyl-5-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-4,7-dimethyl-2H-chromen-2-one
Smiles: Cc1cc(OC(C(=O)N2CCC3(C(C2)CCCC3)O)C)c2c(c1)oc(=O)c(c2C)Cc1ccccc1

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Molecular Weight: 489.61
Empirical Formula: C30H35NO5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.394
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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