COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562301
Chemical Name: 3-{(E)-[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C/c1cccc(c1)[O-]

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Molecular Weight: 459.53
Empirical Formula: C24H21N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.733
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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