General Information of the Compound
| Compound ID |
CP0382406
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| Compound Name |
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C18H21N3O3
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| Molecular Weight |
327.384
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| Canonical SMILES |
O=C(COc1ccccc1)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C18H21N3O3/c22-18(14-24-16-5-2-1-3-6-16)21-10-9-20-11-15(21)13-23-17-7-4-8-19-12-17/h1-8,12,15,20H,9-11,13-14H2
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| InChIKey |
CHDCCHSKFNTLKE-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