COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK497607
Chemical Name: N-[1-(5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Smiles: N#Cc1ccc(cc1)C(=O)CSc1nnc(n1CC)C(NC(=O)c1ccccc1)C

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Molecular Weight: 419.51
Empirical Formula: C22H21N5O2S

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 125
Number of rings: 3

     

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