General Information of the Compound
| Compound ID |
CP0447117
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| Compound Name |
1-(3-chlorophenyl)-3-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C23H30ClN3O2
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| Molecular Weight |
415.965
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(CC1)NC(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C23H30ClN3O2/c1-17(2)21-8-3-4-9-22(21)29-15-14-27-12-10-19(11-13-27)25-23(28)26-20-7-5-6-18(24)16-20/h3-9,16-17,19H,10-15H2,1-2H3,(H2,25,26,28)
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| InChIKey |
AIIBCWUCPICMSV-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7