General Information of the Compound
| Compound ID |
CP0476470
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| Compound Name |
(2R)-9-[2-(2-fluorophenyl)ethyl]-2-methyl-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 |
C23H25F4N3O2
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| Molecular Weight |
451.464
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| Canonical SMILES |
C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C23H25F4N3O2/c1-16-21(31)30(20-18(23(25,26)27)6-4-11-28-20)15-22(32-16)9-13-29(14-10-22)12-8-17-5-2-3-7-19(17)24/h2-7,11,16H,8-10,12-15H2,1H3/t16-/m1/s1
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| InChIKey |
FDTFECQDLRIBOA-MRXNPFEDSA-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