COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566778
Chemical Name: 5-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-hydroxyphenolate
Smiles: O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccc(c(c1)[O-])O

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Molecular Weight: 515.64
Empirical Formula: C28H29N5O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 8.602
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 142
Number of rings: 4

     

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