General Information of the Compound
| Compound ID |
CP0520767
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| Compound Name |
7-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
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| Structure |
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| Formula |
C27H34BrNO3
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| Molecular Weight |
500.477
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| Canonical SMILES |
COCCOc1cc(CC2CCN(CCc3ccc4CCCC(=O)c4c3)CC2)ccc1Br
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| InChI |
InChI=1S/C27H34BrNO3/c1-31-15-16-32-27-19-22(6-8-25(27)28)17-21-10-13-29(14-11-21)12-9-20-5-7-23-3-2-4-26(30)24(23)18-20/h5-8,18-19,21H,2-4,9-17H2,1H3
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| InChIKey |
CXYMYQLFCUUEAM-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: PT00871, Sodium-dependent serotonin transporter