General Information of the Compound
| Compound ID |
CP0429109
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| Compound Name |
2-(12,14-dioxa-3-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-trien-3-yl)-1-piperidin-1-ylethanone
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| Structure |
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| Formula |
C20H26N2O3
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| Molecular Weight |
342.439
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| Canonical SMILES |
O=C(CN1CCCC2Cc3cc4OCOc4cc3C12)N1CCCCC1
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| InChI |
InChI=1S/C20H26N2O3/c23-19(21-6-2-1-3-7-21)12-22-8-4-5-14-9-15-10-17-18(25-13-24-17)11-16(15)20(14)22/h10-11,14,20H,1-9,12-13H2
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| InChIKey |
KOMBVWYSNHEPIK-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