COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553011
Chemical Name: 4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-9-{(2E)-3-[4-(prop-2-en-1-yloxy)phenyl]prop-2-enoyl}-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: C=CCOc1ccc(cc1)/C=C/C(=O)c1c2CC[N+](Cc2c(c2c1OCO2)OC)(C)CC(=O)OC

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Saltdata: Br-
Molecular Weight: 480.54
Empirical Formula: C27H30NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.659
Rotatable bonds: 8
H-donors: 0
H-acceptors: 7
PSA: 80
Number of rings: 4

     

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