COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040002
Chemical Name: 4-{(E)-[2-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-3-hydroxyphenolate
Smiles: CCn1c(SCC(=O)N/N=C/c2ccc(cc2O)[O-])[nH+]nc1c1ccc(cc1)C

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Molecular Weight: 411.48
Empirical Formula: C20H21N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.603
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 142
Number of rings: 3

     

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