COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039381
Chemical Name: 4-{(Z)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-3-hydroxyphenolate
Smiles: COc1cc(ccc1OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C\c1ccc(cc1O)[O-]

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Molecular Weight: 505.55
Empirical Formula: C25H23N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.039
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 160
Number of rings: 4

     

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