General Information of the Compound
| Compound ID |
CP0437337
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| Compound Name |
2-methoxy-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-ylmethyl)-benzamide
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| Structure |
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| Formula |
C21H26N2O2
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| Molecular Weight |
338.451
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| Canonical SMILES |
COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
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| InChI |
InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)21(24)22-15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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| InChIKey |
LAFUMJMKVVCEGP-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: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor