General Information of the Compound
| Compound ID |
CP0422039
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| Compound Name |
3-Amino-5-(6-(2-(2-methoxyethylamino)-6-(trifluoromethyl)-pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C21H18F3N7O3
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| Molecular Weight |
473.415
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| Canonical SMILES |
COCCNc1nc(ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C21H18F3N7O3/c1-33-8-7-26-19-11(5-6-15(30-19)21(22,23)24)13-9-16(28-10-27-13)34-14-4-2-3-12-17(14)31-18(25)20(32)29-12/h2-6,9-10H,7-8H2,1H3,(H2,25,31)(H,26,30)(H,29,32)
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| InChIKey |
YYNXFZSNJFLEFF-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