General Information of the Compound
| Compound ID |
CP0435808
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| Compound Name |
methyl 2-[3-oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetate
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| Structure |
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
COC(=O)CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
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| InChI |
InChI=1S/C25H30N2O4/c1-30-23(28)18-22-24(29)27(21-10-6-3-7-11-21)19-25(31-22)13-16-26(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,22H,12-19H2,1H3
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| InChIKey |
NWICMXBOJMLOIB-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