General Information of the Compound
| Compound ID |
CP0417063
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| Compound Name |
2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]hexyl]benzo[de]isoquinoline-1,3-dione
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| Structure |
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| Formula |
C29H33N3O3
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| Molecular Weight |
471.601
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
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| InChI |
InChI=1S/C29H33N3O3/c1-35-24-14-12-23(13-15-24)31-20-18-30(19-21-31)16-4-2-3-5-17-32-28(33)25-10-6-8-22-9-7-11-26(27(22)25)29(32)34/h6-15H,2-5,16-21H2,1H3
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| InChIKey |
UGOXZHALYQBPNO-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: PT01005, D(2) dopamine receptor