General Information of the Compound
| Compound ID |
CP0521667
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| Compound Name |
N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
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| Structure |
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| Formula |
C20H20N2O2
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| Molecular Weight |
320.392
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| Canonical SMILES |
CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1cccnc1
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| InChI |
InChI=1S/C20H20N2O2/c1-13(23)22-9-6-16-18(15-3-2-8-21-12-15)11-14-4-5-19-17(20(14)16)7-10-24-19/h2-5,8,12H,6-7,9-11H2,1H3,(H,22,23)
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| InChIKey |
QYFZRIVETVFWFY-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