General Information of the Compound
| Compound ID |
CP0531463
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| Compound Name |
N-(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl)butanamide
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| Structure |
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| Formula |
C23H28N2O
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| Molecular Weight |
348.49
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| Canonical SMILES |
CCCN1CCc2cccc3-c4cc(NC(=O)CCC)ccc4CC1c23
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| InChI |
InChI=1S/C23H28N2O/c1-3-6-22(26)24-18-10-9-17-14-21-23-16(11-13-25(21)12-4-2)7-5-8-19(23)20(17)15-18/h5,7-10,15,21H,3-4,6,11-14H2,1-2H3,(H,24,26)
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| InChIKey |
REMYZYRUNMOWHV-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