General Information of the Compound
| Compound ID |
CP0432180
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| Compound Name |
4-[1-oxo-2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile
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| Structure |
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| Formula |
C23H25N3O
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| Molecular Weight |
359.473
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| Canonical SMILES |
O=C1N(CCCN2CCCC2)CCc2cc(ccc12)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H25N3O/c24-17-18-4-6-19(7-5-18)20-8-9-22-21(16-20)10-15-26(23(22)27)14-3-13-25-11-1-2-12-25/h4-9,16H,1-3,10-15H2
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| InChIKey |
XVSGKDREUJXSJI-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor