COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560010
Chemical Name: 3-{(1Z)-1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Smiles: COc1cc(cc(c1OC)OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C(\c1cccc(c1)[O-])/C

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Molecular Weight: 533.61
Empirical Formula: C27H27N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.046
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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