COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186613
Chemical Name: 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Smiles: CCOc1cc(C)ccc1OCc1nnc(n1c1ccccc1)SCC(=O)N1CCN(CC1)c1ccccc1

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Molecular Weight: 543.69
Empirical Formula: C30H33N5O3S

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 6.146
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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