General Information of the Compound
| Compound ID |
CP0407871
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| Compound Name |
7-methoxy-N-(4-(4-(5-methoxybenzo[d]isoxazol-3-yl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
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| Structure |
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| Formula |
C26H30N4O5
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| Molecular Weight |
478.549
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| Canonical SMILES |
COc1ccc2onc(N3CCN(CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)c2c1
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| InChI |
InChI=1S/C26H30N4O5/c1-32-19-8-9-21-20(17-19)25(28-35-21)30-14-12-29(13-15-30)11-4-3-10-27-26(31)23-16-18-6-5-7-22(33-2)24(18)34-23/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,27,31)
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| InChIKey |
MVSPKSXZRIYQCT-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