General Information of the Compound
| Compound ID |
CP0422045
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| Compound Name |
4-(3-Amino-2-oxo-1,2-dihydroquinoxalin-5-yloxy)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-aminium trifluoroacetate
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| Structure |
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| Formula |
C19H13F3N6O2
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| Molecular Weight |
414.347
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| Canonical SMILES |
Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H13F3N6O2/c20-19(21,22)10-6-4-9(5-7-10)12-8-14(27-18(24)26-12)30-13-3-1-2-11-15(13)28-16(23)17(29)25-11/h1-8H,(H2,23,28)(H,25,29)(H2,24,26,27)
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| InChIKey |
MJDPUEVCRFEQCV-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