General Information of the Compound
| Compound ID |
CP0540123
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| Compound Name |
N-(4-chlorophenyl)-2-[6-(difluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C21H19ClF2N2O3
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| Molecular Weight |
420.843
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| Canonical SMILES |
FC(F)c1ccc2c(OCC22CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C21H19ClF2N2O3/c22-14-2-4-15(5-3-14)25-19(27)20(28)26-9-7-21(8-10-26)12-29-17-11-13(18(23)24)1-6-16(17)21/h1-6,11,18H,7-10,12H2,(H,25,27)
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| InChIKey |
GIBXJIHWLGMCBW-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