General Information of the Compound
| Compound ID |
CP0413818
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| Compound Name |
[4-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone
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| Structure |
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| Formula |
C23H19Cl2N3O2
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| Molecular Weight |
440.33
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| Canonical SMILES |
Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCN(CC=C)c3ccccc23)c1
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| InChI |
InChI=1S/C23H19Cl2N3O2/c1-2-11-27-12-13-28(20-6-4-3-5-19(20)27)23(29)17-15-26-10-9-21(17)30-22-14-16(24)7-8-18(22)25/h2-10,14-15H,1,11-13H2
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| InChIKey |
KQHRXHIZWNAAIR-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