General Information of the Compound
| Compound ID |
CP0439305
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| Compound Name |
1-(4-chlorophenyl)-3-(4-(2-(3-methoxyazetidin-1-yl)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C23H26ClN5O3
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| Molecular Weight |
455.946
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| Canonical SMILES |
COC1CN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)C1
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| InChI |
InChI=1S/C23H26ClN5O3/c1-28-21(9-10-25-28)20-13-18(27-23(30)26-17-5-3-16(24)4-6-17)7-8-22(20)32-12-11-29-14-19(15-29)31-2/h3-10,13,19H,11-12,14-15H2,1-2H3,(H2,26,27,30)
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| InChIKey |
JXBAGKZWSSVOBV-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