COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046245
Chemical Name: 4-{(1E)-1-[2-({[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Smiles: O=C(CSc1[nH+]nc(n1c1ccccc1)c1ccc(cc1)C)N/N=C(/c1ccc(cc1)[O-])\C

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Molecular Weight: 457.56
Empirical Formula: C25H23N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.3
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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