General Information of the Compound
| Compound ID |
CP0417066
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| Compound Name |
1-[6-[4-(2-nitrophenyl)piperazin-1-yl]hexyl]benzo[cd]indol-2-one
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| Structure |
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| Formula |
C27H30N4O3
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| Molecular Weight |
458.562
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
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| InChI |
InChI=1S/C27H30N4O3/c32-27-22-11-7-9-21-10-8-14-25(26(21)22)30(27)16-6-2-1-5-15-28-17-19-29(20-18-28)23-12-3-4-13-24(23)31(33)34/h3-4,7-14H,1-2,5-6,15-20H2
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| InChIKey |
OSRVFCQUJFRRKE-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