General Information of the Compound
| Compound ID |
CP0441761
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| Compound Name |
[4-(2-chlorophenoxy)pyridin-3-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
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| Structure |
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| Formula |
C23H20ClN3O2
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| Molecular Weight |
405.885
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| Canonical SMILES |
Clc1ccccc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C23H20ClN3O2/c24-18-5-1-4-8-22(18)29-21-11-12-25-15-17(21)23(28)27-14-13-26(16-9-10-16)19-6-2-3-7-20(19)27/h1-8,11-12,15-16H,9-10,13-14H2
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| InChIKey |
PGFKZJYQQKOPSQ-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