General Information of the Compound
| Compound ID |
CP0392005
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| Compound Name |
2-(2-bromophenoxy)-1-[6-(2-pyridin-3-ylethylamino)pyridin-3-yl]ethanone
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| Structure |
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| Formula |
C20H18BrN3O2
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| Molecular Weight |
412.287
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| Canonical SMILES |
Brc1ccccc1OCC(=O)c1ccc(NCCc2cccnc2)nc1
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| InChI |
InChI=1S/C20H18BrN3O2/c21-17-5-1-2-6-19(17)26-14-18(25)16-7-8-20(24-13-16)23-11-9-15-4-3-10-22-12-15/h1-8,10,12-13H,9,11,14H2,(H,23,24)
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| InChIKey |
VZHZIEJZTLHSBW-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