COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL518997
Chemical Name: 8-{[(3,4-dimethoxybenzyl)ammonio]methyl}-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C[NH2+]Cc1ccc(c(c1)OC)OC)[O-]

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Saltdata: HCl
Molecular Weight: 455.51
Empirical Formula: C25H29NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.393
Rotatable bonds: 11
H-donors: 2
H-acceptors: 7
PSA: 110
Number of rings: 3

     

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