General Information of the Compound
| Compound ID |
CP0517926
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| Compound Name |
US9187424, 89
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| Structure |
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| Formula |
C22H16F6N2O2
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| Molecular Weight |
454.37
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H16F6N2O2/c1-13-2-4-14(5-3-13)17-10-20(22(26,27)28,30-19(31)18(17)11-29)15-6-8-16(9-7-15)32-12-21(23,24)25/h2-9H,10,12H2,1H3,(H,30,31)
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| InChIKey |
XARYZCLFSGHJLE-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