COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561787
Chemical Name: 2,4-diiodo-6-[(E)-{[3-(phenoxymethyl)-5-sulfanyl-4H-1,2,4-triazol-1-ium-4-yl]imino}methyl]phenolate
Smiles: Ic1cc(/C=N/n2c(COc3ccccc3)n[nH+]c2S)c(c(c1)I)[O-]

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Molecular Weight: 578.17
Empirical Formula: C16H12I2N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.766
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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