General Information of the Compound
| Compound ID |
CP0179455
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| Compound Name |
Pipernonaline
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| Synonyms |
(2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one
(2E,8E)-9-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one
1-[9-(1,3-Benzodioxol-5-yl)-1-oxo-2,8-nonadienyl]piperidine, 9CI
9-(3,4-Methylenedioxyphenyl)-2,8-nonadienoic acid piperidide
CHEMBL450332
MolPort-006-668-470
PIPERNONALINE
PKLGRWSJBLGIBF-JMQWPVDRSA-N
Pipernonaline, >
ZINC14658236
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| Structure |
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| Formula |
C21H27NO3
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| Molecular Weight |
341.451
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| Canonical SMILES |
O=C(\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCCC1
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| InChI |
InChI=1S/C21H27NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+
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| InChIKey |
PKLGRWSJBLGIBF-JMQWPVDRSA-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
Clinical Information about the Compound