COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563681
Chemical Name: 2,4-diiodo-6-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: COc1c(OC)cc(cc1OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C/c1cc(I)cc(c1[O-])I

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Molecular Weight: 771.37
Empirical Formula: C26H23I2N5O5S

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 9.763
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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