General Information of the Compound
| Compound ID |
CP0411391
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| Compound Name |
1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one
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| Structure |
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| Formula |
C22H32N2O
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| Molecular Weight |
340.511
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| Canonical SMILES |
CC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
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| InChI |
InChI=1S/C22H32N2O/c1-17-20-11-7-8-12-21(20)24(22(17)25)19-13-15-23(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,17-19H,2-6,9-10,13-16H2,1H3
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| InChIKey |
YLJQVYWTNUVLEP-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor