COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552814
Chemical Name: 6-(2-amino-2-oxoethyl)-5-[(2,6-dimethylphenyl)carbamoyl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1c(C)cccc1C)[N+](CC2)(C)CC(=O)N

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Saltdata: I-
Molecular Weight: 426.49
Empirical Formula: C23H28N3O5

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: -0.496
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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