General Information of the Compound
| Compound ID |
CP0417011
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| Compound Name |
N-[4-[4-(6-ethyl-1,3-benzodioxol-5-yl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C26H31N3O5
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| Molecular Weight |
465.55
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| Canonical SMILES |
CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
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| InChI |
InChI=1S/C26H31N3O5/c1-2-18-13-23-24(33-17-32-23)15-21(18)29-11-9-28(10-12-29)16-20(30)7-8-27-26(31)25-14-19-5-3-4-6-22(19)34-25/h3-6,13-15,20,30H,2,7-12,16-17H2,1H3,(H,27,31)
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| InChIKey |
DNRUAPLXAOKCKK-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