General Information of the Compound
| Compound ID |
CP0480887
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| Compound Name |
(4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]methanone
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| Structure |
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| Formula |
C23H20Cl2N4O2
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| Molecular Weight |
455.345
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| Canonical SMILES |
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCN(C3CCC3)c3ccccc23)c1
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| InChI |
InChI=1S/C23H20Cl2N4O2/c24-15-8-9-18(25)21(12-15)31-22-17(13-26-14-27-22)23(30)29-11-10-28(16-4-3-5-16)19-6-1-2-7-20(19)29/h1-2,6-9,12-14,16H,3-5,10-11H2
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| InChIKey |
LKFNUBBKEOVLFZ-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