General Information of the Compound
| Compound ID |
CP0536808
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| Compound Name |
US9187424, 30
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| Structure |
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| Formula |
C21H17F3N2O2
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| Molecular Weight |
386.373
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| Canonical SMILES |
COc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F3N2O2/c1-13-3-5-14(6-4-13)17-11-20(21(22,23)24,26-19(27)18(17)12-25)15-7-9-16(28-2)10-8-15/h3-10H,11H2,1-2H3,(H,26,27)
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| InChIKey |
JWJSLVALDGJEQA-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