General Information of the Compound
| Compound ID |
CP0479515
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| Compound Name |
[4-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-propyl-2,3-dihydroquinoxalin-1-yl)methanone
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| Structure |
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| Formula |
C23H21Cl2N3O2
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| Molecular Weight |
442.346
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| Canonical SMILES |
CCCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C23H21Cl2N3O2/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/h3-10,14-15H,2,11-13H2,1H3
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| InChIKey |
KPYYZMLWXHSKDH-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