COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534410
Chemical Name: (14xi)-3-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}estra-1,3,5(10)-triene-16,17-diol
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C2CC(C3O)O)C)C)cc2c1OCO2

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Molecular Weight: 545.68
Empirical Formula: C33H39NO6

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 5.635
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 80
Number of rings: 7

     

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