General Information of the Compound
| Compound ID |
CP0540127
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| Compound Name |
N-(5-chloropyridin-2-yl)-2-oxo-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]acetamide
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| Structure |
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| Formula |
C20H17ClF3N3O3
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| Molecular Weight |
439.821
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| Canonical SMILES |
FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cn2)c1
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| InChI |
InChI=1S/C20H17ClF3N3O3/c21-13-2-4-16(25-10-13)26-17(28)18(29)27-7-5-19(6-8-27)11-30-15-9-12(20(22,23)24)1-3-14(15)19/h1-4,9-10H,5-8,11H2,(H,25,26,28)
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| InChIKey |
VIDYDKYDNYKZBU-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