COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980169
Chemical Name: N-[(E)-(2-chloro-5-nitrophenyl)methylidene]-3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
Smiles: CSc1nnc(n1/N=C/c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 373.82
Empirical Formula: C16H12ClN5O2S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 5.611
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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