COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536697
Chemical Name: 7-{[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}-4-(trifluoromethyl)-2H-chromen-2-one
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)oc(=O)cc3C(F)(F)F)C)cc2c1OCO2

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Molecular Weight: 487.43
Empirical Formula: C25H20F3NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.924
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 66
Number of rings: 5

     

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