General Information of the Compound
| Compound ID |
CP0441519
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| Compound Name |
1-(4-chloro-phenyl)-8-((1S,2S)-2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C25H30ClN3O
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| Molecular Weight |
423.988
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| Canonical SMILES |
Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C25H30ClN3O/c26-20-10-12-21(13-11-20)29-18-27-24(30)25(29)14-16-28(17-15-25)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,27,30)/t22-,23-/m0/s1
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| InChIKey |
KABKYYFLUWTYIC-GOTSBHOMSA-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