COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534976
Chemical Name: 3-benzyl-8-{[(2-hydroxypropyl)ammonio]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: CC(C[NH2+]Cc1c([O-])ccc2c1oc(=O)c(c2C)Cc1ccccc1)O

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Saltdata: HCl
Molecular Weight: 353.42
Empirical Formula: C21H23NO4

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.815
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 86
Number of rings: 3

     

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