COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK435065
Chemical Name: 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1Cn1nc(cc1C(F)F)C(F)F

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Molecular Weight: 487.44
Empirical Formula: C18H17F4N7O3S

Physical State: Dry powder
Available Amount: 717 mg

Lipinsky:
logP: 3.671
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 148
Number of rings: 3

     

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