COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543978
Chemical Name: methyl2-(acetylamino)-3,3,3-trifluoro-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C

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Molecular Weight: 513.34
Empirical Formula: C16H12F9N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.463
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 128
Number of rings: 2

     

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