COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052805
Chemical Name: 2-methoxy-4-{(E)-[4-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl}-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Smiles: COc1cc(ccc1[O-])/C=C\1/SC(=NC1=O)N1CC[NH+](CC1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 463.48
Empirical Formula: C22H20F3N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.7
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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