COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182140
Chemical Name: 3-[({[4-ethyl-5-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1cccc(c1)C(F)(F)F

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Molecular Weight: 507.49
Empirical Formula: C22H20F3N5O4S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 4.572
Rotatable bonds: 8
H-donors: 3
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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