General Information of the Compound
| Compound ID |
CP0561361
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| Compound Name |
US9216968, 80
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| Structure |
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| Formula |
C26H21F6N5O3
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| Molecular Weight |
565.474
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| Canonical SMILES |
CCOCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H21F6N5O3/c1-2-40-13-21-36-19-11-14(35-24(39)15-6-3-4-7-17(15)25(27,28)29)10-16(22(19)37-21)23(38)34-12-20-18(26(30,31)32)8-5-9-33-20/h3-11H,2,12-13H2,1H3,(H,34,38)(H,35,39)(H,36,37)
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| InChIKey |
DWGUHYLILNAUOL-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