General Information of the Compound
| Compound ID |
CP0407869
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| Compound Name |
7-methoxy-N-(4-(4-(7-methoxyisoquinolin-1-yl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
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| Structure |
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| Formula |
C28H32N4O4
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| Molecular Weight |
488.588
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| Canonical SMILES |
COc1ccc2ccnc(N3CCN(CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)c2c1
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| InChI |
InChI=1S/C28H32N4O4/c1-34-22-9-8-20-10-12-29-27(23(20)19-22)32-16-14-31(15-17-32)13-4-3-11-30-28(33)25-18-21-6-5-7-24(35-2)26(21)36-25/h5-10,12,18-19H,3-4,11,13-17H2,1-2H3,(H,30,33)
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| InChIKey |
IKWFRNZOZWEGCD-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: PT00943, D(3) dopamine receptor