COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK140020
Chemical Name: N-{1-[5-({2-[(4-bromo-2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-chlorobenzamide
Smiles: CCn1c(SCC(=O)Nc2ccc(c(c2C)C)Br)nnc1C(NC(=O)c1ccccc1Cl)C

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Molecular Weight: 550.91
Empirical Formula: C23H25BrClN5O2S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 5.644
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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