COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL402083
Chemical Name: N-[(E)-(2-chloro-6-fluorophenyl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: Cc1nnc(n1/N=C/c1c(F)cccc1Cl)SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 423.86
Empirical Formula: C16H15ClFN7O2S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 4.445
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 132
Number of rings: 3

     

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