General Information of the Compound
| Compound ID |
CP0445205
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| Compound Name |
3-Amino-5-(2-amino-6-(2-amino-4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C19H14F3N7O2
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| Molecular Weight |
429.362
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| Canonical SMILES |
Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1N)C(F)(F)F
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| InChI |
InChI=1S/C19H14F3N7O2/c20-19(21,22)8-4-5-9(10(23)6-8)12-7-14(28-18(25)27-12)31-13-3-1-2-11-15(13)29-16(24)17(30)26-11/h1-7H,23H2,(H2,24,29)(H,26,30)(H2,25,27,28)
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| InChIKey |
JZMOAZXNIHAUEN-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