General Information of the Compound
| Compound ID |
CP0419052
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| Compound Name |
3,4-difluoro-N-(4-((6-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl)phenyl)-N-methylaniline
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| Structure |
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| Formula |
C25H24F3N3O
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| Molecular Weight |
439.481
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| Canonical SMILES |
CN(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C25H24F3N3O/c1-30(20-6-7-22(26)23(27)13-20)19-4-2-17(3-5-19)15-31-10-8-25(9-11-31)21-14-29-24(28)12-18(21)16-32-25/h2-7,12-14H,8-11,15-16H2,1H3
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| InChIKey |
IYEJAIHDFCXVRY-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2