General Information of the Compound
| Compound ID |
CP0416916
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| Compound Name |
6-(benzimidazol-1-yl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
O=C1N(CCN2CCCC2)CCc2cc(ccc12)-n1cnc2ccccc12
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| InChI |
InChI=1S/C22H24N4O/c27-22-19-8-7-18(26-16-23-20-5-1-2-6-21(20)26)15-17(19)9-12-25(22)14-13-24-10-3-4-11-24/h1-2,5-8,15-16H,3-4,9-14H2
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| InChIKey |
BTHDBDIXZQYFMB-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