COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL139262
Chemical Name: N-{2-[5-({2-[(2-bromo-4,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(C)c(cc2Br)C)nnc1CCNC(=O)c1ccccc1C

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Molecular Weight: 542.5
Empirical Formula: C25H28BrN5O2S

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 5.092
Rotatable bonds: 9
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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