COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297378
Chemical Name: ethyl4-[({[5-(5-bromo-2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1c1cc(Br)ccc1O

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Molecular Weight: 517.4
Empirical Formula: C22H21BrN4O4S

Physical State: Dry powder
Available Amount: 858 mg

Lipinsky:
logP: 7.414
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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