General Information of the Compound
| Compound ID |
CP0478897
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| Compound Name |
2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine
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| Structure |
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| Formula |
C25H23N3O2
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| Molecular Weight |
397.478
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| Canonical SMILES |
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1
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| InChI |
InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3
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| InChIKey |
LDFDHYVHCWAUGE-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor