COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK307398
Chemical Name: 3-(difluoromethyl)-N-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=N/n1c(SC)nnc1C(F)F

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Molecular Weight: 451.46
Empirical Formula: C18H19F2N7O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.15
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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