COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560372
Chemical Name: 2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccccc1C(=O)[O-]

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Molecular Weight: 527.65
Empirical Formula: C29H29N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.23
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 138
Number of rings: 4

     

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