General Information of the Compound
| Compound ID |
CP0447113
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| Compound Name |
1-(3-chlorophenyl)-3-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C26H28ClN3O2
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| Molecular Weight |
449.982
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| Canonical SMILES |
Clc1cccc(NC(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C26H28ClN3O2/c27-21-9-6-10-23(19-21)29-26(31)28-22-13-15-30(16-14-22)17-18-32-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,22H,13-18H2,(H2,28,29,31)
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| InChIKey |
ZSCRFGSBZVTGPQ-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