COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK491247
Chemical Name: 1-(2-methoxy-4-nitrophenyl)-3-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}urea
Smiles: COc1cc(ccc1NC(=O)Nc1ncn(n1)Cc1cccc(c1)C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 436.35
Empirical Formula: C18H15F3N6O4

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.408
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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