COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150217
Chemical Name: 2-{(E)-[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4,6-diiodophenolate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1CC)SCC(=O)N/N=C/c1cc(I)cc(c1[O-])I

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Molecular Weight: 663.28
Empirical Formula: C20H19I2N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.081
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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