COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807214
Chemical Name: 2,2'-{butane-1,4-diylbis[(4-ethyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis(1-phenylethanone)
Smiles: CCn1c(CCCCc2nnc(n2CC)SCC(=O)c2ccccc2)nnc1SCC(=O)c1ccccc1

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Molecular Weight: 548.73
Empirical Formula: C28H32N6O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.979
Rotatable bonds: 13
H-donors: 0
H-acceptors: 2
PSA: 146
Number of rings: 4

     

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