COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147776
Chemical Name: 3-{(E)-[2-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: CCn1c(SCC(=O)N/N=C/c2cccc(c2)[O-])[nH+]nc1c1ccc(cc1)C

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Molecular Weight: 395.49
Empirical Formula: C20H21N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.368
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 3

     

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