COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115396
Chemical Name: 4-chloro-N-(1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)Cl)C

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Molecular Weight: 497.93
Empirical Formula: C21H19ClF3N5O2S

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 4.693
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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