General Information of the Compound
| Compound ID |
CP0567308
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| Compound Name |
3-[[4-(diethylamino)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C17H19F4N5O3
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| Molecular Weight |
417.363
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| Canonical SMILES |
CCN(CC)c1nc(Nc2cccc(c2)C(O)=O)nc(OCC(F)(F)C(F)F)n1
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| InChI |
InChI=1S/C17H19F4N5O3/c1-3-26(4-2)15-23-14(22-11-7-5-6-10(8-11)12(27)28)24-16(25-15)29-9-17(20,21)13(18)19/h5-8,13H,3-4,9H2,1-2H3,(H,27,28)(H,22,23,24,25)
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| InChIKey |
AKBYBQIPWPJVNZ-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