General Information of the Compound
| Compound ID |
CP0441478
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| Compound Name |
(Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methyl)pyridin-3-yl)methyl)-5-methyl-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidin]-6(5H)-one
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| Structure |
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| Formula |
C27H28F2N4O3
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| Molecular Weight |
494.542
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| Canonical SMILES |
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(=O)n(C)cc32)cn1
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| InChI |
InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-16-32(2)25(34)13-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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| InChIKey |
DGQYAOWRSYHPCE-ZXPTYKNPSA-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