COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572635
Chemical Name: 8-{[butyl(methyl)ammonio]methyl}-3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)C

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Molecular Weight: 439.86
Empirical Formula: C22H21ClF3NO3

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 7.061
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 3

     

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