COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527502
Chemical Name: (8xi,9xi,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)-trien-17-one
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)CCC2C3CC[C@]3(C2CCC3=O)C)C)cc2c1OCO2

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Molecular Weight: 527.66
Empirical Formula: C33H37NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.379
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 7

     

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