COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527997
Chemical Name: ethyl2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-N-(pyridin-3-ylcarbonyl)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NC(=O)c1cccnc1)Nc1nc2c(s1)cc(cc2)OCC

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Molecular Weight: 468.46
Empirical Formula: C20H19F3N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.905
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 130
Number of rings: 3

     

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