COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK336221
Chemical Name: 4-({[5-(5-bromo-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1cc2c(o1)ccc(c2)Br

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Molecular Weight: 479.36
Empirical Formula: C22H15BrN4O2S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 5.58
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 110
Number of rings: 4

     

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