General Information of the Compound
| Compound ID |
CP0868817
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| Compound Name |
US9187424, 295
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| Structure |
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| Formula |
C21H22F3N5O2
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| Molecular Weight |
433.434
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| Canonical SMILES |
COc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(C#CCCC(C)C)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C21H22F3N5O2/c1-13(2)6-4-5-11-20(21(22,23)24)12-16(14-7-9-15(31-3)10-8-14)17(19(30)25-20)18-26-28-29-27-18/h7-10,13H,4,6,12H2,1-3H3,(H,25,30)(H,26,27,28,29)
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| InChIKey |
HLNNLXJOKNFMBS-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