General Information of the Compound
| Compound ID |
CP0431122
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| Compound Name |
1-{2-[4-(7-Fluoro-naphthalen-1-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
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| Structure |
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| Formula |
C27H27FN2O2
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| Molecular Weight |
430.523
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| Canonical SMILES |
NC(=O)c1ccc2C(CCN3CCC(=CC3)c3cccc4ccc(F)cc34)OCCc2c1
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| InChI |
InChI=1S/C27H27FN2O2/c28-22-6-4-18-2-1-3-23(25(18)17-22)19-8-12-30(13-9-19)14-10-26-24-7-5-21(27(29)31)16-20(24)11-15-32-26/h1-8,16-17,26H,9-15H2,(H2,29,31)
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| InChIKey |
XZGSTXKWHGPPEV-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D