General Information of the Compound
| Compound ID |
CP0407576
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| Compound Name |
1-[1-(1-phenylethyl)piperidin-4-yl]-3H-indol-2-one
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C21H24N2O/c1-16(17-7-3-2-4-8-17)22-13-11-19(12-14-22)23-20-10-6-5-9-18(20)15-21(23)24/h2-10,16,19H,11-15H2,1H3
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| InChIKey |
IBPZYWOEGMAJNC-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