General Information of the Compound
| Compound ID |
CP0460201
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| Compound Name |
(2S)-2-hydroxy-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
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| Structure |
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
O[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C25H32N2O2/c28-23(19-20-7-2-1-3-8-20)24(29)26-15-6-16-27-17-13-25(14-18-27)12-11-21-9-4-5-10-22(21)25/h1-5,7-10,23,28H,6,11-19H2,(H,26,29)/t23-/m0/s1
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| InChIKey |
UKYQQDBFPUUGLN-QHCPKHFHSA-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