COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618360
Chemical Name: 8-{[(1-benzylpiperidin-4-yl)ammonio]methyl}-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-olate
Smiles: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C[NH2+]C1CCN(CC1)Cc1ccccc1)[O-]

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Saltdata: 2 HCl
Molecular Weight: 470.57
Empirical Formula: C29H30N2O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.247
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 78
Number of rings: 5

     

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