COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416233
Chemical Name: 4-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzaldehyde
Smiles: O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nnc(n1CC)Cc1ccccc1

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Molecular Weight: 368.42
Empirical Formula: C18H16N4O3S

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 4.827
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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