General Information of the Compound
| Compound ID |
CP0558729
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| Compound Name |
12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
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| Structure |
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| Formula |
C19H26N2O2
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| Molecular Weight |
314.429
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| Canonical SMILES |
CN1CC2(CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
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| InChI |
InChI=1S/C19H26N2O2/c1-20-15-18(23-19(8-9-19)17(20)22)10-13-21(14-11-18)12-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
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| InChIKey |
ZUGPOQBHNCDHMW-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