General Information of the Compound
| Compound ID |
CP0432443
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| Compound Name |
5-Bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2,3-dimethoxy-benzamide
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| Structure |
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| Formula |
C20H23BrN2O3
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| Molecular Weight |
419.319
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| Canonical SMILES |
COc1cc(Br)cc(C(=O)NCCN2CCc3ccccc3C2)c1OC
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| InChI |
InChI=1S/C20H23BrN2O3/c1-25-18-12-16(21)11-17(19(18)26-2)20(24)22-8-10-23-9-7-14-5-3-4-6-15(14)13-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)
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| InChIKey |
PWXJESIQWPYCPX-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor