COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK267259
Chemical Name: 3-methyl-N-{[4-methyl-5-({1-[(4-nitrophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nnc(n1C)CNC(=O)c1cccc(c1)C

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N N N N+ S NH NH -O O O O
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Molecular Weight: 468.54
Empirical Formula: C22H24N6O4S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 4.38
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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