General Information of the Compound
| Compound ID |
CP0417069
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| Compound Name |
1-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]benzo[cd]indol-2-one
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| Structure |
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| Formula |
C28H33N3O2
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| Molecular Weight |
443.591
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
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| InChI |
InChI=1S/C28H33N3O2/c1-33-24-12-8-11-23(21-24)30-19-17-29(18-20-30)15-4-2-3-5-16-31-26-14-7-10-22-9-6-13-25(27(22)26)28(31)32/h6-14,21H,2-5,15-20H2,1H3
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| InChIKey |
CEBLKRFUASWWLQ-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