COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL186083
Chemical Name: 2-{[4-(2-methylphenyl)-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: Cc1ccc(cc1)NCc1nnc(n1c1ccccc1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 473.56
Empirical Formula: C25H23N5O3S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.166
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 4

     

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