COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK665312
Chemical Name: 1-[(3,4-dimethoxyphenyl)carbonyl]-2-[2-(4-fluorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolinium
Smiles: COc1cc2c(cc1OC)cc[n+](c2C(=O)c1ccc(c(c1)OC)OC)CC(=O)c1ccc(cc1)F

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Saltdata: Br-
Molecular Weight: 490.51
Empirical Formula: C28H25FNO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.005
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 74
Number of rings: 4

     

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