COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL437689
Chemical Name: methyl(2E)-{2-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}ethanoate
Smiles: COC(=O)/C=C\1/SC(=NC1=O)N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Br

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Molecular Weight: 478.25
Empirical Formula: C16H11BrF3N3O4S

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 2.332
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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