COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561078
Chemical Name: 3-(4-bromophenyl)-2-(ethoxycarbonyl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2c(C[NH+]3CCCC(C3)C)c([O-])ccc2c(=O)c1c1ccc(cc1)Br

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Molecular Weight: 500.39
Empirical Formula: C25H26BrNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.011
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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