General Information of the Compound
| Compound ID |
CP0487963
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)pyridin-3-yl]methanone
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| Structure |
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| Formula |
C26H27N3O2
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| Molecular Weight |
413.521
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| Canonical SMILES |
Cc1cc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1C
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| InChI |
InChI=1S/C26H27N3O2/c1-17-14-19(3)25(15-18(17)2)31-24-10-11-27-16-21(24)26(30)29-13-12-28(20-8-9-20)22-6-4-5-7-23(22)29/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3
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| InChIKey |
ZQVTVBLIJQMUIL-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