COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL267894
Chemical Name: methyl4-{[({5-oxo-6-[(E)-2-phenylethenyl]-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(c(=O)[nH]1)/C=C/c1ccccc1

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Available Amount: 0 mg

Lipinsky:
logP: 3.555
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 134
Number of rings: 3

     

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