General Information of the Compound
| Compound ID |
CP0507243
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| Compound Name |
N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C22H26N4O4
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| Molecular Weight |
410.474
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc(OCCNCCO)c(c1)-c1ccnn1C
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| InChI |
InChI=1S/C22H26N4O4/c1-26-20(8-9-24-26)19-15-17(6-7-21(19)30-13-11-23-10-12-27)25-22(28)16-4-3-5-18(14-16)29-2/h3-9,14-15,23,27H,10-13H2,1-2H3,(H,25,28)
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| InChIKey |
ICQZUCHSSMHLJE-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