COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091050
Chemical Name: 4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-phenyl-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(C)(C)C)cc(c1OC(=O)C)OC

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Molecular Weight: 587.7
Empirical Formula: C31H33N5O5S

Physical State: Dry powder
Available Amount: 409 mg

Lipinsky:
logP: 8.062
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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