General Information of the Compound
| Compound ID |
CP0423811
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| Compound Name |
2-(3-chlorophenoxy)-N-(1-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C22H25ClN2O4
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| Molecular Weight |
416.905
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| Canonical SMILES |
Clc1cccc(OCC(=O)NC2CCN(Cc3ccc4OCCOc4c3)CC2)c1
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| InChI |
InChI=1S/C22H25ClN2O4/c23-17-2-1-3-19(13-17)29-15-22(26)24-18-6-8-25(9-7-18)14-16-4-5-20-21(12-16)28-11-10-27-20/h1-5,12-13,18H,6-11,14-15H2,(H,24,26)
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| InChIKey |
USHMZLIMYCBDFO-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