General Information of the Compound
| Compound ID |
CP0912552
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| Compound Name |
(E)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl)phenyl)methanone oxime
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| Structure |
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| Formula |
C25H22F3N3O2
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| Molecular Weight |
453.464
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| Canonical SMILES |
O/N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C25H22F3N3O2/c26-21-6-5-18(11-22(21)27)24(30-32)17-3-1-16(2-4-17)14-31-9-7-25(8-10-31)20-13-29-23(28)12-19(20)15-33-25/h1-6,11-13,32H,7-10,14-15H2/b30-24+
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| InChIKey |
CFUPTNNNCZABDF-BGABXYSRSA-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