COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515271
Chemical Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxo-2H-chromen-7-olate
Smiles: O=c1cc(C[NH+]2CCN(CC2)Cc2ccccc2)c2c(o1)c(C)c(cc2)[O-]

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Molecular Weight: 364.44
Empirical Formula: C22H24N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.262
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 57
Number of rings: 4

     

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