COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK617436
Chemical Name: 3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-({[4-(trifluoromethoxy)phenyl]ammonio}methyl)-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]c1ccc(cc1)OC(F)(F)F)[O-]

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Saltdata: HCl
Molecular Weight: 437.37
Empirical Formula: C21H18F3NO6

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 4.451
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 101
Number of rings: 3

     

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