General Information of the Compound
| Compound ID |
CP0397825
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| Compound Name |
5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-ylamine
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| Structure |
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| Formula |
C20H17F4N3O3
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| Molecular Weight |
423.366
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| Canonical SMILES |
Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C20H17F4N3O3/c21-19(22)29-16-3-1-13(10-17(16)30-20(23)24)15(14-2-4-18(25)26-11-14)9-12-5-7-27(28)8-6-12/h1-8,10-11,15,19-20H,9H2,(H2,25,26)
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| InChIKey |
DAGCAMFZZCLQGL-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