General Information of the Compound
| Compound ID |
CP0547088
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| Compound Name |
2-[6-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-oxohexyl]isoindoline
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| Structure |
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| Formula |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
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| InChI |
InChI=1S/C25H33N3O2/c1-30-24-12-7-6-11-23(24)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-21-9-4-5-10-22(21)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3
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| InChIKey |
OMGFHJJVBNGXBW-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