COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590072
Chemical Name: 8-{[bis(2-methylpropyl)ammonio]methyl}-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1cccc(c1)C)C(F)(F)F)CC(C)C)C

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Molecular Weight: 477.52
Empirical Formula: C26H30F3NO4

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 8.779
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 3

     

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