COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558826
Chemical Name: 4-bromo-2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(Br)ccc2[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 594.53
Empirical Formula: C28H28BrN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.845
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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