COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552879
Chemical Name: 4-methoxy-5-[2-(4-methoxyphenyl)-2-oxoethyl]-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)OC)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 384.45
Empirical Formula: C22H26NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.288
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 4

     

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