General Information of the Compound
| Compound ID |
CP0918636
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| Compound Name |
4-benzoyl-1-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)piperazin-2-one hydrochloride
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
Cl.O=C(c1ccccc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1
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| InChI |
InChI=1S/C26H31N3O3.ClH/c30-25-19-28(26(31)20-5-2-1-3-6-20)17-18-29(25)22-9-11-23(12-10-22)32-24-13-15-27(16-14-24)21-7-4-8-21;/h1-3,5-6,9-12,21,24H,4,7-8,13-19H2;1H
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| InChIKey |
XAMKLIVWXRZDBC-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2