COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552920
Chemical Name: 5-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1ccc(c(c1)C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1)OC

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Saltdata: I-
Molecular Weight: 414.48
Empirical Formula: C23H28NO6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0.078
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 63
Number of rings: 4

     

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