General Information of the Compound
| Compound ID |
CP0194592
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| Compound Name |
(R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile
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| Synonyms |
4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl]benzonitrile
ABT-239
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| Structure |
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| Formula |
C22H22N2O
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| Molecular Weight |
330.431
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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| InChIKey |
KFHYZKCRXNRKRC-MRXNPFEDSA-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: PT01194, Histamine H3 receptor
Cell-based Assay
Protein ID: PT01173, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound