General Information of the Compound
| Compound ID |
CP0417800
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| Compound Name |
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
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| Structure |
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| Formula |
C23H24F2N4O3
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| Molecular Weight |
442.466
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| Canonical SMILES |
Cn1nccc1-c1cc(NC(=O)c2ccc(F)c(F)c2)ccc1OCCN1CCOCC1
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| InChI |
InChI=1S/C23H24F2N4O3/c1-28-21(6-7-26-28)18-15-17(27-23(30)16-2-4-19(24)20(25)14-16)3-5-22(18)32-13-10-29-8-11-31-12-9-29/h2-7,14-15H,8-13H2,1H3,(H,27,30)
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| InChIKey |
JFDDZUJAURQELQ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C