COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047912
Chemical Name: 3-(4-bromophenyl)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc(cc1)Br

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Molecular Weight: 459.34
Empirical Formula: C22H23BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.343
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 77
Number of rings: 4

     

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