COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036390
Chemical Name: 4-{(E)-[2-({[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C2CCCCC2)c2ccc(cc2)C)cc(c1OC(=O)C)OC

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Molecular Weight: 551.67
Empirical Formula: C28H33N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.704
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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