COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553017
Chemical Name: 9-[(2E)-3-(2,5-dimethoxyphenyl)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: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2cc(OC)ccc2OC)OCO1

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Saltdata: Br-
Molecular Weight: 484.53
Empirical Formula: C26H30NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.939
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 89
Number of rings: 4

     

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