COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473268
Chemical Name: dimethyl5-{[({5-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)CSc2nnc(n2C)C(Oc2ccc(cc2)C(C)(C)C)C)sc(c1C)C(=O)OC

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Molecular Weight: 560.7
Empirical Formula: C26H32N4O6S2

Physical State: Dry powder
Available Amount: 288 mg

Lipinsky:
logP: 6.921
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 175
Number of rings: 3

     

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