General Information of the Compound
| Compound ID |
CP0512935
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| Compound Name |
N-(5-chloropyridin-2-yl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C21H18ClFN4O2
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| Molecular Weight |
412.852
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| Canonical SMILES |
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cn3)c2c1
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| InChI |
InChI=1S/C21H18ClFN4O2/c22-14-1-4-19(25-12-14)26-20(28)21(29)27-9-6-13(7-10-27)16-5-8-24-18-3-2-15(23)11-17(16)18/h1-5,8,11-13H,6-7,9-10H2,(H,25,26,28)
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| InChIKey |
JYCCTOFAASPOCV-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