General Information of the Compound
| Compound ID |
CP0400567
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| Compound Name |
1-(4-chlorophenyl)-3-(4-(2-((2R,6S)-2,6-dimethylpiperidin-1-yl)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C26H32ClN5O2
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| Molecular Weight |
482.028
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| Canonical SMILES |
C[C@H]1CCC[C@@H](C)N1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
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| InChI |
InChI=1S/C26H32ClN5O2/c1-18-5-4-6-19(2)32(18)15-16-34-25-12-11-22(17-23(25)24-13-14-28-31(24)3)30-26(33)29-21-9-7-20(27)8-10-21/h7-14,17-19H,4-6,15-16H2,1-3H3,(H2,29,30,33)/t18-,19+
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| InChIKey |
UZSODKZTGLVMOD-KDURUIRLSA-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