General Information of the Compound
| Compound ID |
CP0405796
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| Compound Name |
N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C19H24N2O
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| Molecular Weight |
296.414
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| Canonical SMILES |
O=C(NCCCc1cn2CCCc3cccc1c23)C1CCC1
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| InChI |
InChI=1S/C19H24N2O/c22-19(15-6-1-7-15)20-11-3-8-16-13-21-12-4-9-14-5-2-10-17(16)18(14)21/h2,5,10,13,15H,1,3-4,6-9,11-12H2,(H,20,22)
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| InChIKey |
QITDFJAPXZRMTE-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