COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564006
Chemical Name: 5-{(E)-[2-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-hydroxyphenolate
Smiles: CCn1c(SCC(=O)N/N=C/c2ccc(c(c2)[O-])O)[nH+]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 453.57
Empirical Formula: C23H27N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.484
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 142
Number of rings: 3

     

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