COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK278651
Chemical Name: 2-bromo-N-{[5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1CNC(=O)c1ccccc1Br

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Molecular Weight: 496.39
Empirical Formula: C22H18BrN5O2S

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 3.708
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 125
Number of rings: 3

     

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