General Information of the Compound
| Compound ID |
CP0400199
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| Compound Name |
7,8-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
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| Structure |
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| Formula |
C14H19NO2
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| Molecular Weight |
233.311
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| Canonical SMILES |
COc1cc2CC3CCCNC3c2cc1OC
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| InChI |
InChI=1S/C14H19NO2/c1-16-12-7-10-6-9-4-3-5-15-14(9)11(10)8-13(12)17-2/h7-9,14-15H,3-6H2,1-2H3
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| InChIKey |
QNEFWYSQFKTFTK-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