COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205645
Chemical Name: 4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl4-bromobenzoate
Smiles: Brc1ccc(cc1)C(=O)OCC#CCSc1ncnn1c1ccccc1

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Molecular Weight: 428.31
Empirical Formula: C19H14BrN3O2S

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 6.09
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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