General Information of the Compound
| Compound ID |
CP0168742
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| Compound Name |
2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-2a,3,4,5-tetrahydrobenzo[cd]indol-2(1H)-one
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| Synonyms |
DR-4004
compound 7 [PMID 10052959]
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| Structure |
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| Formula |
C26H30N2O
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| Molecular Weight |
386.539
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| Canonical SMILES |
O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23
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| InChI |
InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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| InChIKey |
JBQOYPLKTTXLSQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Clinical Information about the Compound