General Information of the Compound
| Compound ID |
CP0433644
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| Compound Name |
3-Amino-5-(6-(2-amino-4-(trifluoromethyl)phenyl)-2-(2-methoxyethylamino)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C22H20F3N7O3
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| Molecular Weight |
487.442
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| Canonical SMILES |
COCCNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1N)C(F)(F)F
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| InChI |
InChI=1S/C22H20F3N7O3/c1-34-8-7-28-21-30-15(12-6-5-11(9-13(12)26)22(23,24)25)10-17(31-21)35-16-4-2-3-14-18(16)32-19(27)20(33)29-14/h2-6,9-10H,7-8,26H2,1H3,(H2,27,32)(H,29,33)(H,28,30,31)
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| InChIKey |
IAXLCGSBTVEGJL-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