COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022804
Chemical Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-yl4-bromobenzoate
Smiles: Brc1ccc(cc1)C(=O)OCC#CCSc1nc2c(s1)cccc2

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Molecular Weight: 418.33
Empirical Formula: C18H12BrNO2S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.579
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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