General Information of the Compound
| Compound ID |
CP0457974
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| Compound Name |
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C16H18ClF4N5O
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| Molecular Weight |
407.799
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| Canonical SMILES |
CCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OCC(F)(F)C(F)F)n1
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| InChI |
InChI=1S/C16H18ClF4N5O/c1-3-26(4-2)14-23-13(22-11-7-5-6-10(17)8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25)
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| InChIKey |
HRXAUVKTIDDIJZ-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