General Information of the Compound
| Compound ID |
CP0053278
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| Compound Name |
(5-bromo-1-methylpyrrolo[2,3-c]pyridin-2-yl)-[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C21H23BrN4O
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| Molecular Weight |
427.346
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| Canonical SMILES |
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C
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| InChI |
InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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| InChIKey |
AURQGFNAFLUKPW-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: PT04076, Potassium voltage-gated channel subfamily E member 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT05331, Pyroglutamylated RF-amide peptide receptor
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha