General Information of the Compound
| Compound ID |
CP0055980
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| Compound Name |
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-5-methylbenzamide
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| Structure |
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| Formula |
C22H28N2O4
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| Molecular Weight |
384.476
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| Canonical SMILES |
COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC
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| InChI |
InChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)
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| InChIKey |
CKJPETQDQGIHJS-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: PT01005, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor