General Information of the Compound
| Compound ID |
CP0391777
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| Compound Name |
1-(6-chloropyridin-3-yl)-2-(2-pyrimidin-5-ylphenoxy)ethanone
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| Structure |
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| Formula |
C17H12ClN3O2
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| Molecular Weight |
325.755
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| Canonical SMILES |
Clc1ccc(cn1)C(=O)COc1ccccc1-c1cncnc1
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| InChI |
InChI=1S/C17H12ClN3O2/c18-17-6-5-12(9-21-17)15(22)10-23-16-4-2-1-3-14(16)13-7-19-11-20-8-13/h1-9,11H,10H2
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| InChIKey |
LOJOPYOAYAJECX-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