COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007220
Chemical Name: 4-{4-[(3-nitrophenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Smiles: O=C(Nc1nnc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 522.49
Empirical Formula: C17H17F3N6O6S2

Available Amount: 0 mg

Lipinsky:
logP: 2.026
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 195
Number of rings: 3

     

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