COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL025124
Chemical Name: ethyl2-[({[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)c2cc(Br)ccc2O)sc2c1CCCC2

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Molecular Weight: 537.46
Empirical Formula: C21H21BrN4O4S2

Available Amount: 0 mg

Lipinsky:
logP: 7.994
Rotatable bonds: 8
H-donors: 3
H-acceptors: 4
PSA: 170
Number of rings: 4

     

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