General Information of the Compound
| Compound ID |
CP0648465
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| Compound Name |
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2-pyrazine Carboxamide
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| Structure |
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| Formula |
C27H28N6O
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| Molecular Weight |
452.562
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| Canonical SMILES |
Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5cnccn5)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C27H28N6O/c1-20-8-9-23-24(30-20)6-3-7-26(23)33-16-14-32(15-17-33)13-10-21-4-2-5-22(18-21)31-27(34)25-19-28-11-12-29-25/h2-9,11-12,18-19H,10,13-17H2,1H3,(H,31,34)
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| InChIKey |
QIJPXEALWJLAOE-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