COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK235953
Chemical Name: 4-methoxy-N-[2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Smiles: COc1ccc(cc1)C(=O)NCCc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 455.49
Empirical Formula: C21H21N5O5S

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 3.096
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 157
Number of rings: 3

     

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