General Information of the Compound
| Compound ID |
CP0080663
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| Compound Name |
5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-methoxy-benzamide
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| Structure |
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| Formula |
C21H25BrN2O4
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| Molecular Weight |
449.345
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| Canonical SMILES |
COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC
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| InChI |
InChI=1S/C21H25BrN2O4/c1-26-18-5-4-16(22)12-17(18)21(25)23-7-9-24-8-6-14-10-19(27-2)20(28-3)11-15(14)13-24/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,25)
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| InChIKey |
KSANSFZVRVSECI-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