COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK626112
Chemical Name: 3-benzyl-8-{[(3,4-dimethoxybenzyl)ammonio]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: COc1cc(C[NH2+]Cc2c([O-])ccc3c2oc(=O)c(c3C)Cc2ccccc2)ccc1OC

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Saltdata: HCl
Molecular Weight: 445.52
Empirical Formula: C27H27NO5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.506
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 4

     

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