General Information of the Compound
Compound ID |
CP0462885
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Compound Name |
N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]butanamide
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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 |
CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23
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InChI |
InChI=1S/C21H27NO3/c1-4-5-19(23)22-13-12-15-6-9-16-17(24-2)10-7-14-8-11-18(25-3)21(15)20(14)16/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)
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InChIKey |
GBQSWEMPGGYIKG-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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