General Information of the Compound
| Compound ID |
CP0534579
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| Compound Name |
N-(4-chlorophenyl)-4-hydroxy-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]butanamide
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| Structure |
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| Formula |
C23H24ClF3N2O3
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| Molecular Weight |
468.903
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| Canonical SMILES |
OCCC(N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H24ClF3N2O3/c24-16-2-4-17(5-3-16)28-21(31)19(7-12-30)29-10-8-22(9-11-29)14-32-20-13-15(23(25,26)27)1-6-18(20)22/h1-6,13,19,30H,7-12,14H2,(H,28,31)
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| InChIKey |
FUUDCDQXGJNLCG-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