COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171316
Chemical Name: 6-[(E)-(2-{[(5-{[(4-iodo-2-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I

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Molecular Weight: 686.53
Empirical Formula: C28H27IN6O5S

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 6.869
Rotatable bonds: 11
H-donors: 3
H-acceptors: 5
PSA: 165
Number of rings: 4

     

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