COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK841668
Chemical Name: methyl3,3,3-trifluoro-N-[(4-fluorophenyl)carbonyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]

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Molecular Weight: 472.38
Empirical Formula: C18H12F4N4O5S

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 8.243
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 154
Number of rings: 3

     

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