COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197787
Chemical Name: 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)Br)nnc1CC(=O)Nc1ccccc1OC

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Molecular Weight: 550.86
Empirical Formula: C22H21BrClN5O3S

Physical State: Dry powder
Available Amount: 272 mg

Lipinsky:
logP: 5.291
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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