General Information of the Compound
| Compound ID |
CP0435818
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| Compound Name |
2-methyl-4-phenyl-9-(2-pyridin-2-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CC1OC2(CCN(CCc3ccccn3)CC2)CN(C1=O)c1ccccc1
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| InChI |
InChI=1S/C22H27N3O2/c1-18-21(26)25(20-8-3-2-4-9-20)17-22(27-18)11-15-24(16-12-22)14-10-19-7-5-6-13-23-19/h2-9,13,18H,10-12,14-17H2,1H3
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| InChIKey |
QPMLJPMWNURBDC-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