General Information of the Compound
| Compound ID |
CP0509106
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| Compound Name |
[4-(3-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 |
Clc1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
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| InChI |
InChI=1S/C23H20ClN3O2/c24-16-4-3-5-18(14-16)29-22-10-11-25-15-19(22)23(28)27-13-12-26(17-8-9-17)20-6-1-2-7-21(20)27/h1-7,10-11,14-15,17H,8-9,12-13H2
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| InChIKey |
UMJJEAJBZJJYQD-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