COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL452117
Chemical Name: 3-[4-amino-3-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoicacid
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(c(=O)n1N)CCC(=O)O

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Molecular Weight: 394.37
Empirical Formula: C14H14N6O6S

Available Amount: 0 mg

Lipinsky:
logP: 1.018
Rotatable bonds: 7
H-donors: 4
H-acceptors: 6
PSA: 208
Number of rings: 2

     

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