COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552969
Chemical Name: 9-[(2E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: CCOc1ccc(cc1OC)/C=C/C(=O)c1c2CC[N+](Cc2c(c2c1OCO2)OC)(C)CC(=O)OC

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Saltdata: Br-
Molecular Weight: 498.55
Empirical Formula: C27H32NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.267
Rotatable bonds: 10
H-donors: 0
H-acceptors: 8
PSA: 89
Number of rings: 4

     

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