General Information of the Compound
| Compound ID |
CP0546005
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| Compound Name |
US9187424, 138
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| Structure |
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| Formula |
C21H15F5N2O2
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| Molecular Weight |
422.353
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| Canonical SMILES |
COc1ccc(cc1)C1(NC(=O)C(C#N)=C(c2ccc(C)cc2)C1(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H15F5N2O2/c1-12-3-5-13(6-4-12)17-16(11-27)18(29)28-19(20(17,22)23,21(24,25)26)14-7-9-15(30-2)10-8-14/h3-10H,1-2H3,(H,28,29)
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| InChIKey |
DTRXAMPOOYLGGS-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