COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057143
Chemical Name: 3-(3,4-dimethoxyphenyl)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 454.52
Empirical Formula: C25H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.87
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 95
Number of rings: 4

     

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