COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536242
Chemical Name: methyl2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-N-[(2-methylphenyl)carbonyl]alaninate
Smiles: CCOc1ccc2c(c1)sc(n2)NC(C(F)(F)F)(C(=O)OC)NC(=O)c1ccccc1C

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Molecular Weight: 467.47
Empirical Formula: C21H20F3N3O4S

Physical State: Dry powder
Available Amount: 289 mg

Lipinsky:
logP: 8.694
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 3

     

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