General Information of the Compound
| Compound ID |
CP0416903
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| Compound Name |
3-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzonitrile
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
O=C1N(CCN2CCCC2)CCc2cc(ccc12)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C22H23N3O/c23-16-17-4-3-5-18(14-17)19-6-7-21-20(15-19)8-11-25(22(21)26)13-12-24-9-1-2-10-24/h3-7,14-15H,1-2,8-13H2
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| InChIKey |
GAWGFYBLRGTQOO-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