COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219187
Chemical Name: 3,4-dimethoxy-N-[(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Smiles: COc1cc(ccc1OC)C(=O)NCc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 471.49
Empirical Formula: C21H21N5O6S

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 2.47
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 3

     

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