COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055645
Chemical Name: 3-(4-bromophenyl)-2-methyl-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: Brc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[O-]

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Molecular Weight: 428.33
Empirical Formula: C22H22BrNO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.034
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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