General Information of the Compound
| Compound ID |
CP0414812
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| Compound Name |
1-[2-(4-Naphthalen-1-yl-piperidin-1-yl)-ethyl]-isochroman-6-carboxylic acid amide
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| Structure |
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
NC(=O)c1ccc2C(CCN3CCC(CC3)c3cccc4ccccc34)OCCc2c1
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| InChI |
InChI=1S/C27H30N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-9,18,20,26H,10-17H2,(H2,28,30)
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| InChIKey |
HRZOOXCBXLHFRO-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