COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK575451
Chemical Name: 3-(4-chlorophenyl)-8-{[cyclohexyl(ethyl)ammonio]methyl}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC[NH+](C1CCCCC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F

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Molecular Weight: 479.93
Empirical Formula: C25H25ClF3NO3

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 8.058
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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