COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556453
Chemical Name: 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)[N+](=O)[O-])cc(c1OC)OC

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Molecular Weight: 486.51
Empirical Formula: C21H22N6O6S

Physical State: Dry powder
Available Amount: 255 mg

Lipinsky:
logP: 4.667
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 170
Number of rings: 3

     

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