General Information of the Compound
| Compound ID |
CP0010653
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| Compound Name |
2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenyl-acetamide (Darifenacin)
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| Synonyms |
Emselex
(S)-1-(2-(2,3-Dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-3-pyrrolidineacetamide
133099-04-4
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide
APG9819VLM
CHEBI:391960
CHEMBL1346
Darifenacin
Darifenacin (USAN/INN)
Darifenacin [USAN:INN:BAN]
Darifenacina
Darifenacinum
Emselex
Emselex (TN)
Enablex
Enablex (TN)
NCGC00168775-01
UK-88525
UNII-APG9819VLM
[3H]darifenacin
darifenacine
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| Structure |
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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| InChIKey |
HXGBXQDTNZMWGS-RUZDIDTESA-N
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| CAS |
133099-04-4
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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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Protein ID: PT03002, Potassium voltage-gated channel subfamily D member 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Clinical Information about the Compound