General Information of the Compound
| Compound ID |
CP0048789
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| Compound Name |
5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2,3-dimethoxy-benzamide
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| Structure |
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| Formula |
C22H27BrN2O5
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| Molecular Weight |
479.371
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| Canonical SMILES |
COc1cc2CCN(CCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
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| InChI |
InChI=1S/C22H27BrN2O5/c1-27-18-9-14-5-7-25(13-15(14)10-19(18)28-2)8-6-24-22(26)17-11-16(23)12-20(29-3)21(17)30-4/h9-12H,5-8,13H2,1-4H3,(H,24,26)
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| InChIKey |
GSHZYENJHIPEJJ-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