COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083113
Chemical Name: 2-methyl-N-{[4-methyl-5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(n1C)CNC(=O)c1ccccc1C

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Molecular Weight: 454.51
Empirical Formula: C21H22N6O4S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 3.772
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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