COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118854
Chemical Name: (2E)-N-{[5-({2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-3-(2-chlorophenyl)prop-2-enamide
Smiles: CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(cc1C)Br

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Molecular Weight: 548.89
Empirical Formula: C23H23BrClN5O2S

Physical State: Dry powder
Available Amount: 348 mg

Lipinsky:
logP: 5.631
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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