General Information of the Compound
| Compound ID |
CP0435815
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| Compound Name |
4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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| Structure |
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| Formula |
C24H30N2O3
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| Molecular Weight |
394.515
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| Canonical SMILES |
COc1cccc(c1)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
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| InChI |
InChI=1S/C24H30N2O3/c1-19-23(27)26(21-9-6-10-22(17-21)28-2)18-24(29-19)12-15-25(16-13-24)14-11-20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3
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| InChIKey |
ZEIMIZKOLIBIEH-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