General Information of the Compound
| Compound ID |
CP0520244
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| Compound Name |
US9216968, 35
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| Structure |
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| Formula |
C24H18F4N4O3
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| Molecular Weight |
486.425
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1F
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| InChI |
InChI=1S/C24H18F4N4O3/c1-35-12-20-30-19-11-13(29-22(33)14-6-2-3-7-16(14)24(26,27)28)10-15(21(19)32-20)23(34)31-18-9-5-4-8-17(18)25/h2-11H,12H2,1H3,(H,29,33)(H,30,32)(H,31,34)
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| InChIKey |
KPADVKJJABAAJC-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