COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552955
Chemical Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc3c(c1)OCCO3)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 412.46
Empirical Formula: C23H26NO6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: -0.277
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 63
Number of rings: 5

     

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