COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL395339
Chemical Name: 3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-{5-[(4-fluorophenoxy)methyl]furan-2-yl}methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: Fc1ccc(cc1)OCc1ccc(o1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 485.5
Empirical Formula: C21H20FN7O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.537
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 154
Number of rings: 4

     

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