General Information of the Compound
| Compound ID |
CP0442085
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-amide
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| Structure |
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| Formula |
C23H23BrN2O2
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| Molecular Weight |
439.353
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H23BrN2O2/c1-28-22-19-9-5-4-8-18(19)21(24)14-20(22)23(27)25-11-13-26-12-10-16-6-2-3-7-17(16)15-26/h2-9,14H,10-13,15H2,1H3,(H,25,27)
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| InChIKey |
LQOYFQQIZFEVDY-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