General Information of the Compound
| Compound ID |
CP0564723
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| Compound Name |
N-(5-chloropyridin-2-yl)-2-[4-[3-chloro-2-(trifluoromethyl)pyridin-4-yl]piperidin-1-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C18H15Cl2F3N4O2
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| Molecular Weight |
447.244
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| Canonical SMILES |
FC(F)(F)c1nccc(C2CCN(CC2)C(=O)C(=O)Nc2ccc(Cl)cn2)c1Cl
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| InChI |
InChI=1S/C18H15Cl2F3N4O2/c19-11-1-2-13(25-9-11)26-16(28)17(29)27-7-4-10(5-8-27)12-3-6-24-15(14(12)20)18(21,22)23/h1-3,6,9-10H,4-5,7-8H2,(H,25,26,28)
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| InChIKey |
UJDOVTBKENFSPN-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