General Information of the Compound
| Compound ID |
CP0471523
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| Compound Name |
4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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| Formula |
C25H31FN2O2
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| Molecular Weight |
410.533
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| Canonical SMILES |
CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2F)C1=O
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| InChI |
InChI=1S/C25H31FN2O2/c1-20-24(29)28(16-12-22-9-5-6-10-23(22)26)19-25(30-20)13-17-27(18-14-25)15-11-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3
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| InChIKey |
RMEKBOFUQAIQPI-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