COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL394482
Chemical Name: (1-methyl-1H-pyrazol-4-yl)[2-(methylsulfanyl)-7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Smiles: CSc1nn2c(n1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)c1cnn(c1)C)C(F)(F)F

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Molecular Weight: 465.42
Empirical Formula: C18H14F3N7O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.939
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 148
Number of rings: 4

     

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