General Information of the Compound
| Compound ID |
CP0514600
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| Compound Name |
1-(4-(2-(azetidin-1-yl)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C22H24ClN5O2
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| Molecular Weight |
425.92
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| Canonical SMILES |
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC1
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| InChI |
InChI=1S/C22H24ClN5O2/c1-27-20(9-10-24-27)19-15-18(7-8-21(19)30-14-13-28-11-2-12-28)26-22(29)25-17-5-3-16(23)4-6-17/h3-10,15H,2,11-14H2,1H3,(H2,25,26,29)
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| InChIKey |
NTNOFWTZPPUTET-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