COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK124280
Chemical Name: N-{[4-ethyl-5-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1CNC(=O)c1cccc(c1)C

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Molecular Weight: 454.51
Empirical Formula: C21H22N6O4S

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 3.373
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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