COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136611
Chemical Name: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1c1cc2c(o1)cccc2

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Molecular Weight: 454.35
Empirical Formula: C21H16BrN3O2S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 6.018
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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