General Information of the Compound
| Compound ID |
CP0493917
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| Compound Name |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridin-2-amine
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| Structure |
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| Formula |
C18H14Cl2FN3O
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| Molecular Weight |
378.234
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1cccnc1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C18H14Cl2FN3O/c1-10(16-13(19)4-5-14(21)17(16)20)25-15-7-12(9-24-18(15)22)11-3-2-6-23-8-11/h2-10H,1H3,(H2,22,24)
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| InChIKey |
YIRPOQQWUMRCHP-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