COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680446
Chemical Name: ethylN-(6-butoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(pentanoylamino)alaninate
Smiles: CCCCOc1ccc2c(c1)sc(n2)NC(C(F)(F)F)(C(=O)OCC)NC(=O)CCCC

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Molecular Weight: 475.53
Empirical Formula: C21H28F3N3O4S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 9.533
Rotatable bonds: 12
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 2

     

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