General Information of the Compound
| Compound ID |
CP0426091
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| Compound Name |
N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C28H27N3O2
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| Molecular Weight |
437.543
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| Canonical SMILES |
O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C28H27N3O2/c32-28(26-15-14-22-10-4-6-12-25(22)30-26)29-23-16-17-31(20-23)18-19-33-27-13-7-5-11-24(27)21-8-2-1-3-9-21/h1-15,23H,16-20H2,(H,29,32)
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| InChIKey |
LYYTTXCSEIAHQX-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor