COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553470
Chemical Name: 4-(ethoxycarbonyl)-1-ethyl-6,7-dimethoxy-3-methyl-2-(4-methylphenyl)isoquinolinium
Smiles: CCOC(=O)c1c(C)[n+](c2ccc(cc2)C)c(c2c1cc(OC)c(c2)OC)CC

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Saltdata: Cl-
Molecular Weight: 394.49
Empirical Formula: C24H28NO4

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 48
Number of rings: 3

     

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