General Information of the Compound
| Compound ID |
CP0403722
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| Compound Name |
1-[1-[[(2S)-2-bicyclo[2.2.1]heptanyl]methyl]piperidin-4-yl]-3H-indol-2-one
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| Structure |
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| Formula |
C21H28N2O
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| Molecular Weight |
324.468
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| Canonical SMILES |
O=C1Cc2ccccc2N1C1CCN(C[C@H]2CC3CCC2C3)CC1
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| InChI |
InChI=1S/C21H28N2O/c24-21-13-17-3-1-2-4-20(17)23(21)19-7-9-22(10-8-19)14-18-12-15-5-6-16(18)11-15/h1-4,15-16,18-19H,5-14H2/t15?,16?,18-/m1/s1
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| InChIKey |
LJPUZFQIXKYVEE-LEOMRAHMSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor