COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK101522
Chemical Name: 2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: CCn1c(SCc2ccccc2C#N)nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 365.42
Empirical Formula: C18H15N5O2S

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 4.57
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 125
Number of rings: 3

     

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