COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL513530
Chemical Name: (2E)-3-(3-ethoxy-4-methoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one
Smiles: CCOc1cc(/C=C/C(=O)c2c3CCN(Cc3c(c3c2OCO3)OC)C)ccc1OC

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Molecular Weight: 425.48
Empirical Formula: C24H27NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.318
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 66
Number of rings: 4

     

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