General Information of the Compound
| Compound ID |
CP0443872
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| Compound Name |
N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C26H32ClN3O4
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| Molecular Weight |
486.012
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| Canonical SMILES |
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
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| InChI |
InChI=1S/C26H32ClN3O4/c1-3-18-14-21(27)25(33-2)22(15-18)30-12-10-29(11-13-30)17-20(31)8-9-28-26(32)24-16-19-6-4-5-7-23(19)34-24/h4-7,14-16,20,31H,3,8-13,17H2,1-2H3,(H,28,32)
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| InChIKey |
VGKVZFQYJAJYLD-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
Protein ID: PT01161, D(4) dopamine receptor