COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553199
Chemical Name: 5-[(3E)-4-(4-ethoxyphenyl)-2-oxobut-3-en-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: CCOc1ccc(cc1)/C=C/C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

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Molecular Weight: 424.52
Empirical Formula: C25H30NO5

Available Amount: 0 mg

Lipinsky:
logP: 0.679
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 4

     

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