COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568538
Chemical Name: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 395.36
Empirical Formula: C17H12F3N3O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.41
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 121
Number of rings: 3

     

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