General Information of the Compound
| Compound ID |
CP0534581
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| Compound Name |
N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]acetamide
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| Formula |
C21H20ClF3N2O2
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| Molecular Weight |
424.85
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| Canonical SMILES |
FC(F)(F)c1ccc2c(OCC22CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1
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| InChI |
InChI=1S/C21H20ClF3N2O2/c22-15-2-4-16(5-3-15)26-19(28)12-27-9-7-20(8-10-27)13-29-18-11-14(21(23,24)25)1-6-17(18)20/h1-6,11H,7-10,12-13H2,(H,26,28)
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| InChIKey |
GVPCIJQMPFBEPO-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