General Information of the Compound
| Compound ID |
CP0417465
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| Compound Name |
4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-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 |
C[C@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H25N3O/c1-17-3-2-11-25(17)13-14-26-12-10-21-15-20(8-9-22(21)23(26)27)19-6-4-18(16-24)5-7-19/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m0/s1
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| InChIKey |
TXFFWCPTQAOPNJ-KRWDZBQOSA-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