General Information of the Compound
| Compound ID |
CP0288558
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| Compound Name |
N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H28F3N5O3
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| Molecular Weight |
515.536
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| Canonical SMILES |
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2-c2ccnn2C)CC1
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| InChI |
InChI=1S/C26H28F3N5O3/c1-18(35)34-12-10-33(11-13-34)14-15-37-24-7-6-21(17-22(24)23-8-9-30-32(23)2)31-25(36)19-4-3-5-20(16-19)26(27,28)29/h3-9,16-17H,10-15H2,1-2H3,(H,31,36)
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| InChIKey |
MFTXZQJAGOEHOZ-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