General Information of the Compound
| Compound ID |
CP0482315
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| Compound Name |
3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]benzonitrile
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1
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| InChI |
InChI=1S/C24H27N3O2/c1-19-23(28)27(22-8-3-2-4-9-22)18-24(29-19)11-14-26(15-12-24)13-10-20-6-5-7-21(16-20)17-25/h2-9,16,19H,10-15,18H2,1H3
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| InChIKey |
ORXZYLUNARJXOL-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1