General Information of the Compound
| Compound ID |
CP0417064
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| Compound Name |
1-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
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| Structure |
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| Formula |
C25H29N5O
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| Molecular Weight |
415.541
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| Canonical SMILES |
O=C1N(CCCCCCN2CCN(CC2)c2ncccn2)c2cccc3cccc1c23
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| InChI |
InChI=1S/C25H29N5O/c31-24-21-10-5-8-20-9-6-11-22(23(20)21)30(24)15-4-2-1-3-14-28-16-18-29(19-17-28)25-26-12-7-13-27-25/h5-13H,1-4,14-19H2
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| InChIKey |
VJGYBRVHAUSTAR-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