General Information of the Compound
| Compound ID |
CP0534667
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| Compound Name |
chloromethyl 5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-carboxylate
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| Formula |
C27H22ClN3O5
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| Molecular Weight |
503.942
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| Canonical SMILES |
ClCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
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| InChI |
InChI=1S/C27H22ClN3O5/c28-16-35-27(33)21-15-34-24-8-7-18(13-19(21)24)36-25-9-10-29-14-20(25)26(32)31-12-11-30(17-5-6-17)22-3-1-2-4-23(22)31/h1-4,7-10,13-15,17H,5-6,11-12,16H2
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| InChIKey |
GPYVEGJAOLDDOP-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