COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK289121
Chemical Name: N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Smiles: O=C(Cc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(c(c1)Cl)C

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Molecular Weight: 459.91
Empirical Formula: C20H18ClN5O4S

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 4.167
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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