General Information of the Compound
| Compound ID |
CP0533224
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| Compound Name |
2-(hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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| Structure |
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| Formula |
C23H28N2O3
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| Molecular Weight |
380.488
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| Canonical SMILES |
OCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
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| InChI |
InChI=1S/C23H28N2O3/c26-17-21-22(27)25(20-9-5-2-6-10-20)18-23(28-21)12-15-24(16-13-23)14-11-19-7-3-1-4-8-19/h1-10,21,26H,11-18H2
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| InChIKey |
QGQRUYNHBMRUGE-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