General Information of the Compound
| Compound ID |
CP0549475
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| Compound Name |
acetyloxymethyl 5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-carboxylate
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| Formula |
C29H25N3O7
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| Molecular Weight |
527.533
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| Canonical SMILES |
CC(=O)OCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
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| InChI |
InChI=1S/C29H25N3O7/c1-18(33)37-17-38-29(35)23-16-36-26-9-8-20(14-21(23)26)39-27-10-11-30-15-22(27)28(34)32-13-12-31(19-6-7-19)24-4-2-3-5-25(24)32/h2-5,8-11,14-16,19H,6-7,12-13,17H2,1H3
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| InChIKey |
AEQZAQRSTOVCGZ-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