COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044594
Chemical Name: 2,6-di-tert-butyl-4-[(E)-(2-{[(1-ethyl-1H-3,1-benzimidazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: CCn1c(SCC(=O)N/N=C/c2cc(c(c(c2)C(C)(C)C)[O-])C(C)(C)C)[nH+]c2c1cccc2

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Molecular Weight: 466.65
Empirical Formula: C26H34N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.289
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 108
Number of rings: 3

     

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