COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560032
Chemical Name: 2,4-diiodo-6-[(E)-{[5-sulfanyl-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-1-ium-4-yl]imino}methyl]phenolate
Smiles: COc1c(OC)cc(cc1OC)c1n[nH+]c(n1/N=C/c1cc(I)cc(c1[O-])I)S

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Molecular Weight: 638.22
Empirical Formula: C18H16I2N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.529
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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