COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045343
Chemical Name: 2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccc(c2[O-])OC)[nH+]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 545.66
Empirical Formula: C29H31N5O4S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 8.513
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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