COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587211
Chemical Name: 8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-methyl-4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-chromen-7-olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCN(CC1)CCO)[O-]

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Molecular Weight: 496.56
Empirical Formula: C27H32N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.662
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 112
Number of rings: 4

     

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