General Information of the Compound
| Compound ID |
CP0535043
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| Compound Name |
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
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| Structure |
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| Formula |
C23H19F4N3O2
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| Molecular Weight |
445.416
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| Canonical SMILES |
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(cc3)C(F)(F)F)c2c1
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| InChI |
InChI=1S/C23H19F4N3O2/c24-16-3-6-20-19(13-16)18(7-10-28-20)14-8-11-30(12-9-14)22(32)21(31)29-17-4-1-15(2-5-17)23(25,26)27/h1-7,10,13-14H,8-9,11-12H2,(H,29,31)
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| InChIKey |
GWKPHIATJBPVLJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase