General Information of the Compound
| Compound ID |
CP0382206
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| Compound Name |
3-methyl-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 |
C14H17NO2
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| Molecular Weight |
231.295
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| Canonical SMILES |
CN1CCCC2Cc3cc4OCOc4cc3C12
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| InChI |
InChI=1S/C14H17NO2/c1-15-4-2-3-9-5-10-6-12-13(17-8-16-12)7-11(10)14(9)15/h6-7,9,14H,2-5,8H2,1H3
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| InChIKey |
COEIHSXPAHBTHA-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