General Information of the Compound
| Compound ID |
CP0011140
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| Compound Name |
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
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| Synonyms |
(2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide
(2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]octan-3-yl)benzofuran-2-carboxamide
2-Benzofurancarboxamide, N-((2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo(2.2.2)oct-3-yl)-
2-Benzofurancarboxamide, N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-
639489-84-2
ATA-101
ATA101
BDBM50393247
BRADANICLINE [INN]
BRADANICLINE [USAN]
BRADANICLINE [WHO-DD]
Bradanicline
Bradanicline (TC-5619)
Bradanicline (USAN/INN)
Bradanicline [USAN:INN]
CHEMBL1258006
CS-0007204
D10613
DB06090
DTXSID40213778
EX-A7201
GTPL3969
HY-18060
MS-25725
N-[(2S,3R)-2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-2-carboxamide
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
OXKRFEWMSWPKKV-GHTZIAJQSA-N
SCHEMBL372929
TC 5619
TC-5619
TC-5619-238
TC5619
UM3821998K
UNII-UM3821998K
compound 7a [PMID 23126648]
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
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| InChI |
InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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| InChIKey |
OXKRFEWMSWPKKV-GHTZIAJQSA-N
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| CAS |
639489-84-2
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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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound