General Information of the Compound
| Compound ID |
CP0324869
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| Compound Name |
8-[2-(2-fluorophenyl)ethyl]-12-[2-(trifluoromethyl)pyridin-3-yl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
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| Structure |
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| Formula |
C24H25F4N3O2
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| Molecular Weight |
463.475
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| Canonical SMILES |
Fc1ccccc1CCN1CCC2(CC1)CN(C(=O)C1(CC1)O2)c1cccnc1C(F)(F)F
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| InChI |
InChI=1S/C24H25F4N3O2/c25-18-5-2-1-4-17(18)7-13-30-14-10-22(11-15-30)16-31(21(32)23(33-22)8-9-23)19-6-3-12-29-20(19)24(26,27)28/h1-6,12H,7-11,13-16H2
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| InChIKey |
QNSPFRSAEHVDGL-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