COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046305
Chemical Name: 4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)ccc1[O-]

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Molecular Weight: 529.66
Empirical Formula: C29H31N5O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 8.732
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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