General Information of the Compound
| Compound ID |
CP0447966
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| Compound Name |
5-[1-(4-Chloro-phenyl)-2-pyridin-4-yl-ethyl]-2,3-bis-difluoromethoxy-pyridine 1-oxide
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| Structure |
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| Formula |
C20H15ClF4N2O3
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| Molecular Weight |
442.796
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| Canonical SMILES |
[O-][n+]1cc(cc(OC(F)F)c1OC(F)F)C(Cc1ccncc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H15ClF4N2O3/c21-15-3-1-13(2-4-15)16(9-12-5-7-26-8-6-12)14-10-17(29-19(22)23)18(27(28)11-14)30-20(24)25/h1-8,10-11,16,19-20H,9H2
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| InChIKey |
WRBBAAICBLTVQL-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