General Information of the Compound
| Compound ID |
CP0042717
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| Compound Name |
(buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
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| Synonyms |
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
Ansial
Ansial (TN)
Ansiced
Ansiced (TN)
Anxiron
Anxiron (TN)
Axoren
Axoren (TN)
Bespar
Bespar (TN)
BuSpar (TN)
Buspimen (TN)
Buspinol (TN)
Buspiron (TN)
Buspirona
Buspirona [INN-Spanish]
Buspirone
Buspirone (INN)
Buspirone [INN:BAN]
Buspirone-MDTS
Buspironum
Buspironum [INN-Latin]
Buspisal
Buspisal (TN)
Gen-Buspirone
Gen-Buspirone (TN)
MJ-9022-1
N-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-1-cyclopentanediacetamide
Narol (TN)
Sorbon (TN)
Spamilan (TN)
Spitomin (TN)
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| Structure |
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| Formula |
C21H31N5O2
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| Molecular Weight |
385.512
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| Canonical SMILES |
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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| InChIKey |
QWCRAEMEVRGPNT-UHFFFAOYSA-N
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| CAS |
36505-84-7
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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
Cell-based Assay
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Protein ID: PT04591, Solute carrier family 22 member 2
Clinical Information about the Compound