General Information of the Compound
| Compound ID |
CP0389625
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| Compound Name |
ethyl 2-[6-chloro-5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-yl]acetate
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| Structure |
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| Formula |
C29H26ClN3O5
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| Molecular Weight |
531.996
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| Canonical SMILES |
CCOC(=O)Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
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| InChI |
InChI=1S/C29H26ClN3O5/c1-2-36-28(34)13-18-17-37-26-15-22(30)27(14-20(18)26)38-25-9-10-31-16-21(25)29(35)33-12-11-32(19-7-8-19)23-5-3-4-6-24(23)33/h3-6,9-10,14-17,19H,2,7-8,11-13H2,1H3
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| InChIKey |
ZHJLEBSYCYGBOQ-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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1