COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547949
Chemical Name: ethyl3,3,3-trifluoro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(pentanoylamino)alaninate
Smiles: CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1nc2c(s1)cc(cc2)C

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Molecular Weight: 417.45
Empirical Formula: C18H22F3N3O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 8.483
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 108
Number of rings: 2

     

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