COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049364
Chemical Name: 3-(2-bromophenoxy)-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)Oc1ccccc1Br

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Molecular Weight: 489.37
Empirical Formula: C23H25BrN2O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.106
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 86
Number of rings: 4

     

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