General Information of the Compound
| Compound ID |
CP0436267
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| Compound Name |
2-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanol
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| Structure |
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| Formula |
C26H27N3O
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| Molecular Weight |
397.522
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| Canonical SMILES |
OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
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| InChI |
InChI=1S/C26H27N3O/c30-15-14-29-17-23(21-8-3-11-27-26(21)29)18-9-12-28(13-10-18)24-16-20-6-1-4-19-5-2-7-22(24)25(19)20/h1-8,11,17-18,24,30H,9-10,12-16H2
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| InChIKey |
KQNPGUMEIULVJR-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor