General Information of the Compound
| Compound ID |
CP0447469
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| Compound Name |
3-[[4-(diethylamino)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C17H17F6N5O3
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| Molecular Weight |
453.343
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| Canonical SMILES |
CCN(CC)c1nc(Nc2cccc(c2)C(O)=O)nc(OC(C(F)(F)F)C(F)(F)F)n1
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| InChI |
InChI=1S/C17H17F6N5O3/c1-3-28(4-2)14-25-13(24-10-7-5-6-9(8-10)11(29)30)26-15(27-14)31-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,29,30)(H,24,25,26,27)
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| InChIKey |
QNFDPNRDPHDIFG-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