General Information of the Compound
| Compound ID |
CP0435816
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| Compound Name |
2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
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| Structure |
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| Formula |
C23H26F3N3O2
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| Molecular Weight |
433.474
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| Canonical SMILES |
CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-19(23(24,25)26)8-5-12-27-20)16-22(31-17)10-14-28(15-11-22)13-9-18-6-3-2-4-7-18/h2-8,12,17H,9-11,13-16H2,1H3
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| InChIKey |
QVSZFVNYJYNUGG-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