General Information of the Compound
| Compound ID |
CP0845558
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| Compound Name |
3-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-tetrahydro-2H-1,3-oxazin-2-one
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
Cc1ccc2c(N3CCN(CCc4cccc(N5CCCOC5=O)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C26H30N4O2/c1-20-9-10-23-24(27-20)7-3-8-25(23)29-16-14-28(15-17-29)13-11-21-5-2-6-22(19-21)30-12-4-18-32-26(30)31/h2-3,5-10,19H,4,11-18H2,1H3
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| InChIKey |
DSVNWBCSOKKCGQ-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