General Information of the Compound
| Compound ID |
CP0114370
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| Compound Name |
4-P-PDOT
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| Synonyms |
4-phenyl-2-propionamidotetraline
4P-PDOT
N-(4-phenyltetralin-2-yl)propanamide
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| Structure |
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| Formula |
C19H21NO
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| Molecular Weight |
279.383
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| Canonical SMILES |
CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1
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| InChI |
InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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| InChIKey |
RCYLUNPFECYGDW-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B
Clinical Information about the Compound