General Information of the Compound
| Compound ID |
CP0497864
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| Compound Name |
(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyridin-3-yl]methanone
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| Structure |
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| Formula |
C24H21Cl2N3O2
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| Molecular Weight |
454.357
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| Canonical SMILES |
Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CCC3)c3ccccc23)c1
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| InChI |
InChI=1S/C24H21Cl2N3O2/c25-16-8-9-19(26)23(14-16)31-22-10-11-27-15-18(22)24(30)29-13-12-28(17-4-3-5-17)20-6-1-2-7-21(20)29/h1-2,6-11,14-15,17H,3-5,12-13H2
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| InChIKey |
MTODFZWWDNJEKP-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