General Information of the Compound
| Compound ID |
CP0126332
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| Compound Name |
6-(4-fluorophenyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C22H25FN2O
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| Molecular Weight |
352.453
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| Canonical SMILES |
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H25FN2O/c1-16-3-2-11-24(16)13-14-25-12-10-19-15-18(6-9-21(19)22(25)26)17-4-7-20(23)8-5-17/h4-9,15-16H,2-3,10-14H2,1H3/t16-/m1/s1
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| InChIKey |
PESOUNLSPHQJGL-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
Protein ID: PT01173, Histamine H3 receptor