COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245582
Chemical Name: N-[1-(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Smiles: CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1C(NC(=O)c1ccccc1)C

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Molecular Weight: 439.5
Empirical Formula: C21H21N5O4S

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 3.64
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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