General Information of the Compound
| Compound ID |
CP0553240
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| Compound Name |
N-(4-chlorophenyl)-3-cyclopropyl-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanamide
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| Structure |
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| Formula |
C25H26ClF3N2O2
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| Molecular Weight |
478.942
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| Canonical SMILES |
FC(F)(F)c1ccc2c(OCC22CCN(CC2)C(CC2CC2)C(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C25H26ClF3N2O2/c26-18-4-6-19(7-5-18)30-23(32)21(13-16-1-2-16)31-11-9-24(10-12-31)15-33-22-14-17(25(27,28)29)3-8-20(22)24/h3-8,14,16,21H,1-2,9-13,15H2,(H,30,32)
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| InChIKey |
SHSSELHGQOXYDH-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