COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182829
Chemical Name: 2-({5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Smiles: CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1COc1cc(C)cc(c1)C

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Molecular Weight: 465.62
Empirical Formula: C25H31N5O2S

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 4.595
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 88
Number of rings: 4

     

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