General Information of the Compound
| Compound ID |
CP0845527
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| Compound Name |
1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2,5-pyrrolidinedione
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| Structure |
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| Formula |
C26H28N4O2
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| Molecular Weight |
428.536
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| Canonical SMILES |
Cc1ccc2c(N3CCN(CCc4cccc(N5C(=O)CCC5=O)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C26H28N4O2/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)13-12-20-4-2-5-21(18-20)30-25(31)10-11-26(30)32/h2-9,18H,10-17H2,1H3
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| InChIKey |
LONJUKJJLPCGGR-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D