General Information of the Compound
| Compound ID |
CP0559923
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| Compound Name |
N-(4-chlorophenyl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanamide
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| Structure |
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| Formula |
C22H22ClF3N2O2
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| Molecular Weight |
438.877
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| Canonical SMILES |
CC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClF3N2O2/c1-14(20(29)27-17-5-3-16(23)4-6-17)28-10-8-21(9-11-28)13-30-19-12-15(22(24,25)26)2-7-18(19)21/h2-7,12,14H,8-11,13H2,1H3,(H,27,29)
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| InChIKey |
RVOJERZGLLIIRZ-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