General Information of the Compound
| Compound ID |
CP0180148
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| Compound Name |
4-(4-fluorophenyl)-8-[1-(3-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C26H30F2N2O
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| Molecular Weight |
424.535
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| Canonical SMILES |
Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1cccc(F)c1
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| InChI |
InChI=1S/C26H30F2N2O/c27-21-9-7-19(8-10-21)23-18-29-24(31)25(23)13-15-30(16-14-25)26(11-2-1-3-12-26)20-5-4-6-22(28)17-20/h4-10,17,23H,1-3,11-16,18H2,(H,29,31)
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| InChIKey |
POAHFMHBQCXHLU-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