General Information of the Compound
| Compound ID |
CP0484010
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| Compound Name |
US9187424, 264
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| Structure |
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| Formula |
C25H21F7N2O3
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| Molecular Weight |
530.44
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| Canonical SMILES |
CCOc1ccc(cc1F)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H21F7N2O3/c1-2-36-21-9-4-15(12-20(21)26)18-13-23(25(30,31)32,34-22(35)19(18)14-33)16-5-7-17(8-6-16)37-11-3-10-24(27,28)29/h4-9,12H,2-3,10-11,13H2,1H3,(H,34,35)
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| InChIKey |
DPCHJNQELIEWSE-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