General Information of the Compound
| Compound ID |
CP0562459
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| Compound Name |
US9187424, 140
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| Structure |
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| Formula |
C29H24F8N2O3
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| Molecular Weight |
600.506
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| Canonical SMILES |
COc1ccc(cn1)C1=C(c2ccc(C)cc2)C(F)(F)C(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H24F8N2O3/c1-17-4-6-18(7-5-17)24-23(19-8-13-22(41-2)38-16-19)25(40)39-27(28(24,33)34,29(35,36)37)20-9-11-21(12-10-20)42-15-3-14-26(30,31)32/h4-13,16H,3,14-15H2,1-2H3,(H,39,40)
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| InChIKey |
DASPRWAWUGGPHX-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