General Information of the Compound
| Compound ID |
CP0108223
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| Compound Name |
4-(4-fluorophenyl)-8-[1-(2-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C27H33FN2O
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| Molecular Weight |
420.572
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| Canonical SMILES |
Cc1ccccc1C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)
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| InChIKey |
HQSPTAIHUHMQIB-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor