COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552961
Chemical Name: 4-methoxy-6,6-dimethyl-5-[(3E)-2-oxo-4-phenylbut-3-en-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1ccccc1)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 380.46
Empirical Formula: C23H26NO4

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 0.202
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 44
Number of rings: 4

     

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