COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115781
Chemical Name: N-{1-[4-ethyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Smiles: CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1C(NC(=O)c1ccccc1)C

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Molecular Weight: 468.54
Empirical Formula: C22H24N6O4S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 4.19
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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