General Information of the Compound
| Compound ID |
CP0392707
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| Compound Name |
4-fluoro-N-[[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]methyl]benzamide
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| Structure |
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| Formula |
C23H29FN2O2
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| Molecular Weight |
384.495
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| Canonical SMILES |
COc1ccc(CN2CCCC(CNC(=O)c3ccc(F)cc3)C2)c(C)c1C
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| InChI |
InChI=1S/C23H29FN2O2/c1-16-17(2)22(28-3)11-8-20(16)15-26-12-4-5-18(14-26)13-25-23(27)19-6-9-21(24)10-7-19/h6-11,18H,4-5,12-15H2,1-3H3,(H,25,27)
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| InChIKey |
XUXNRAASKQBIJW-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: PT06109, Geminin
Protein ID: PT01027, Melanin-concentrating hormone receptor 1