General Information of the Compound
| Compound ID |
CP0480775
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]methanone
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| Structure |
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| Formula |
C22H18Cl2N4O2
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| Molecular Weight |
441.318
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| Canonical SMILES |
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
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| InChI |
InChI=1S/C22H18Cl2N4O2/c23-14-5-8-17(24)20(11-14)30-21-16(12-25-13-26-21)22(29)28-10-9-27(15-6-7-15)18-3-1-2-4-19(18)28/h1-5,8,11-13,15H,6-7,9-10H2
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| InChIKey |
BSHORRBKTIOXHU-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