COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL516509
Chemical Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-8-hydroxy-2-oxo-2H-chromen-7-olate
Smiles: O=c1cc(C[NH+]2CCN(CC2)Cc2ccccc2)c2c(o1)c(O)c(cc2)[O-]

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Molecular Weight: 366.42
Empirical Formula: C21H22N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.389
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 77
Number of rings: 4

     

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