COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591177
Chemical Name: 8-{[bis(2-methylpropyl)ammonio]methyl}-3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)CC(C)C)C

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Molecular Weight: 481.94
Empirical Formula: C25H27ClF3NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.287
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 3

     

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