General Information of the Compound
| Compound ID |
CP0445014
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| Compound Name |
8-(5-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C23H26FN3O
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| Molecular Weight |
379.479
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| Canonical SMILES |
Fc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C23H26FN3O/c24-20-10-4-9-19-18(20)8-5-11-21(19)26-14-12-23(13-15-26)22(28)25-16-27(23)17-6-2-1-3-7-17/h1-4,6-7,9-10,21H,5,8,11-16H2,(H,25,28)
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| InChIKey |
YTTZUCWHSUQLJS-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