COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458223
Chemical Name: 1-(4-nitrophenyl)-3-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}thiourea
Smiles: S=C(Nc1ncn(n1)Cc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 422.39
Empirical Formula: C17H13F3N6O2S

Physical State: Dry powder
Available Amount: 461 mg

Lipinsky:
logP: 3.809
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 132
Number of rings: 3

     

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