COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL518500
Chemical Name: 8-{[(4-butylphenyl)ammonio]methyl}-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCCCc1ccc(cc1)[NH2+]Cc1c([O-])ccc2c1oc(=O)c(c2C)CC(=O)OC

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Saltdata: HCl
Molecular Weight: 409.48
Empirical Formula: C24H27NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.655
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 92
Number of rings: 3

     

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