COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547079
Chemical Name: methyl3,3,3-trifluoro-N-[(2-methoxyphenyl)carbonyl]-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1OC)Nc1sc2c(n1)c(C)ccc2

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Molecular Weight: 453.44
Empirical Formula: C20H18F3N3O4S

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 8.062
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 3

     

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