COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045163
Chemical Name: 2-[(E)-{[3-(3,4-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-1-ium-4-yl]imino}methyl]-4,6-diiodophenolate
Smiles: COc1ccc(cc1OC)c1n[nH+]c(n1/N=C/c1cc(I)cc(c1[O-])I)S

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Molecular Weight: 608.2
Empirical Formula: C17H14I2N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.577
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 3

     

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