General Information of the Compound
| Compound ID |
CP0486477
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| Compound Name |
methyl 5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-carboxylate
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| Formula |
C27H23N3O5
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| Molecular Weight |
469.497
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| Canonical SMILES |
COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
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| InChI |
InChI=1S/C27H23N3O5/c1-33-27(32)21-16-34-24-9-8-18(14-19(21)24)35-25-10-11-28-15-20(25)26(31)30-13-12-29(17-6-7-17)22-4-2-3-5-23(22)30/h2-5,8-11,14-17H,6-7,12-13H2,1H3
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| InChIKey |
IRSLHVSOSFYKNS-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