General Information of the Compound
| Compound ID |
CP0408220
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| Compound Name |
N-[2-(11-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
COc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CCC3)c2c1
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| InChI |
InChI=1S/C25H28N2O2/c1-29-19-11-12-23-22(16-19)21(13-14-26-25(28)18-7-4-8-18)24-20-10-3-2-6-17(20)9-5-15-27(23)24/h2-3,6,10-12,16,18H,4-5,7-9,13-15H2,1H3,(H,26,28)
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| InChIKey |
IEQGPSPMEXPVGQ-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