General Information of the Compound
| Compound ID |
CP0328913
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| Compound Name |
1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
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| Structure |
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| Formula |
C21H30N2O
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| Molecular Weight |
326.484
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| Canonical SMILES |
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
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| InChI |
InChI=1S/C21H30N2O/c24-21-16-17-8-6-7-11-20(17)23(21)19-12-14-22(15-13-19)18-9-4-2-1-3-5-10-18/h6-8,11,18-19H,1-5,9-10,12-16H2
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| InChIKey |
KQVCYNWOQKXISA-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