General Information of the Compound
| Compound ID |
CP0400816
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| Compound Name |
6-chloro-5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-carboxylic acid
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| Structure |
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| Formula |
C26H20ClN3O5
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| Molecular Weight |
489.915
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| Canonical SMILES |
OC(=O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
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| InChI |
InChI=1S/C26H20ClN3O5/c27-19-12-23-16(18(14-34-23)26(32)33)11-24(19)35-22-7-8-28-13-17(22)25(31)30-10-9-29(15-5-6-15)20-3-1-2-4-21(20)30/h1-4,7-8,11-15H,5-6,9-10H2,(H,32,33)
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| InChIKey |
BDBNGUKQXJYWDD-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: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1