General Information of the Compound
| Compound ID |
CP0335687
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| Compound Name |
N-[[3-(furan-2-yl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccco1
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| InChI |
InChI=1S/C22H25NO3/c1-17(2)26-22-10-4-3-9-21(22)25-14-12-23-16-18-7-5-8-19(15-18)20-11-6-13-24-20/h3-11,13,15,17,23H,12,14,16H2,1-2H3
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| InChIKey |
XBTWMNHXNQEYOC-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