General Information of the Compound
| Compound ID |
CP0432526
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| Compound Name |
1-pentyl-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 |
C24H37N3O
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| Molecular Weight |
383.58
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| Canonical SMILES |
CCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C24H37N3O/c1-2-3-9-16-27-19-25-23(28)24(27)14-17-26(18-15-24)22-13-8-7-12-21(22)20-10-5-4-6-11-20/h4-6,10-11,21-22H,2-3,7-9,12-19H2,1H3,(H,25,28)/t21-,22-/m0/s1
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| InChIKey |
KLZIJMXVBVGSNF-VXKWHMMOSA-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