General Information of the Compound
| Compound ID |
CP0394255
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-butyl]-amide
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| Structure |
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| Formula |
C27H31BrN2O4
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| Molecular Weight |
527.459
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| Canonical SMILES |
COc1cc2CCN(CCCCNC(=O)c3cc(Br)c4ccccc4c3OC)Cc2cc1OC
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| InChI |
InChI=1S/C27H31BrN2O4/c1-32-24-14-18-10-13-30(17-19(18)15-25(24)33-2)12-7-6-11-29-27(31)22-16-23(28)20-8-4-5-9-21(20)26(22)34-3/h4-5,8-9,14-16H,6-7,10-13,17H2,1-3H3,(H,29,31)
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| InChIKey |
XXDKXXVEKGJMFE-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