General Information of the Compound
| Compound ID |
CP0484627
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| Compound Name |
2-[6-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-oxohexyl]-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C26H35N3O2
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| Molecular Weight |
421.585
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
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| InChI |
InChI=1S/C26H35N3O2/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
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| InChIKey |
FHJHQELIOHZJNR-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor