General Information of the Compound
| Compound ID |
CP0421419
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| Compound Name |
N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C24H26N2O2
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| Molecular Weight |
374.484
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| Canonical SMILES |
COc1ccc2n3CCc4ccccc4-c3c(CCNC(=O)C3CCC3)c2c1
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| InChI |
InChI=1S/C24H26N2O2/c1-28-18-9-10-22-21(15-18)20(11-13-25-24(27)17-6-4-7-17)23-19-8-3-2-5-16(19)12-14-26(22)23/h2-3,5,8-10,15,17H,4,6-7,11-14H2,1H3,(H,25,27)
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| InChIKey |
DTJHXENDOIJUBL-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