General Information of the Compound
| Compound ID |
CP0418800
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| Compound Name |
12,14-dioxa-3-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-triene
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| Structure |
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| Formula |
C13H15NO2
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| Molecular Weight |
217.268
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| Canonical SMILES |
C1Oc2cc3CC4CCCNC4c3cc2O1
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| InChI |
InChI=1S/C13H15NO2/c1-2-8-4-9-5-11-12(16-7-15-11)6-10(9)13(8)14-3-1/h5-6,8,13-14H,1-4,7H2
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| InChIKey |
JFXHPCAKMLEPSV-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