General Information of the Compound
| Compound ID |
CP0167089
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| Compound Name |
1-(4-chloro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C25H29ClFN3O2
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| Molecular Weight |
457.977
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| Canonical SMILES |
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H29ClFN3O2/c26-19-6-10-21(11-7-19)30-17-28-23(31)24(30)13-15-29(16-14-24)22-3-1-2-12-25(22,32)18-4-8-20(27)9-5-18/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1
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| InChIKey |
JOHACOBDYIRESQ-RCZVLFRGSA-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