COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK624344
Chemical Name: 3-(2-methoxy-2-oxoethyl)-4-methyl-8-({[4-(4-methylpiperidin-1-yl)phenyl]ammonio}methyl)-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]c1ccc(cc1)N1CCC(CC1)C)[O-]

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Saltdata: 2 HCl
Molecular Weight: 450.53
Empirical Formula: C26H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.855
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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