COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560775
Chemical Name: 4-{(1E)-1-[2-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Smiles: CCn1c(SCC(=O)N/N=C(/c2ccc(cc2)[O-])\C)[nH+]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 451.59
Empirical Formula: C24H29N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.871
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 3

     

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