General Information of the Compound
| Compound ID |
CP0473771
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| Compound Name |
1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]ethanol
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| Structure |
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| Formula |
C26H25F3N2O2
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| Molecular Weight |
454.492
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| Canonical SMILES |
CC(O)(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C26H25F3N2O2/c1-25(32,20-6-7-22(27)23(28)13-20)19-4-2-17(3-5-19)15-31-10-8-26(9-11-31)21-14-30-24(29)12-18(21)16-33-26/h2-7,12-14,32H,8-11,15-16H2,1H3
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| InChIKey |
FZEMPTLYQJKICO-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