General Information of the Compound
| Compound ID |
CP0515670
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C26H23N3O3
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| Molecular Weight |
425.488
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| Canonical SMILES |
Cc1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
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| InChI |
InChI=1S/C26H23N3O3/c1-17-16-31-24-9-8-19(14-20(17)24)32-25-10-11-27-15-21(25)26(30)29-13-12-28(18-6-7-18)22-4-2-3-5-23(22)29/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3
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| InChIKey |
XSQWZZWJHWYIQW-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