COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559933
Chemical Name: 2-[(E)-{[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-1-ium-4-yl]imino}methyl]-4,6-diiodophenolate
Smiles: Ic1cc(/C=N/n2c(S)[nH+]nc2c2ccc(cc2)C(C)(C)C)c(c(c1)I)[O-]

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Molecular Weight: 604.25
Empirical Formula: C19H18I2N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.027
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 106
Number of rings: 3

     

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