COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438221
Chemical Name: (3Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-{2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene}butan-1-one
Smiles: Cc1ccc(cc1)C(=O)C/C(=N/Nc1scc(n1)c1cccc(c1)[N+](=O)[O-])/C(F)(F)F

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Molecular Weight: 448.43
Empirical Formula: C20H15F3N4O3S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 6.534
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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