General Information of the Compound
| Compound ID |
CP0479984
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| Compound Name |
N-(4-chlorophenyl)-2-[7-(trifluoromethyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-1'-yl]butanamide
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| Structure |
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| Formula |
C24H26ClF3N2O2
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| Molecular Weight |
466.931
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| Canonical SMILES |
CCC(N1CCC2(CCOc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H26ClF3N2O2/c1-2-20(22(31)29-18-6-4-17(25)5-7-18)30-12-9-23(10-13-30)11-14-32-21-15-16(24(26,27)28)3-8-19(21)23/h3-8,15,20H,2,9-14H2,1H3,(H,29,31)
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| InChIKey |
DAWSINFMEXSXDH-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