COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186682
Chemical Name: 2-bromo-N-{[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nnc1CNC(=O)c1ccccc1Br

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Molecular Weight: 522.85
Empirical Formula: C21H21BrClN5O2S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.528
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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