General Information of the Compound
| Compound ID |
CP0502000
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| Compound Name |
N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(4-chloro-2-methylpyrazol-3-yl)phenyl]-3-fluorobenzamide
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| Structure |
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| Formula |
C25H27ClFN5O3
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| Molecular Weight |
499.974
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| Canonical SMILES |
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Cl)cnn2C)CC1
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| InChI |
InChI=1S/C25H27ClFN5O3/c1-17(33)32-10-8-31(9-11-32)12-13-35-23-7-6-20(15-21(23)24-22(26)16-28-30(24)2)29-25(34)18-4-3-5-19(27)14-18/h3-7,14-16H,8-13H2,1-2H3,(H,29,34)
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| InChIKey |
LLRONEDNDVJZGN-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