General Information of the Compound
| Compound ID |
CP0486900
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| Compound Name |
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
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| Structure |
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| Formula |
C25H30N2O
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| Molecular Weight |
374.528
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| Canonical SMILES |
CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C25H30N2O/c1-19(28)27-17-22-8-3-2-7-21(22)16-23(27)18-26-14-12-25(13-15-26)11-10-20-6-4-5-9-24(20)25/h2-9,23H,10-18H2,1H3
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| InChIKey |
XSRIHAZBRFZRIH-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2