General Information of the Compound
| Compound ID |
CP0527294
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| Compound Name |
US9216968, 60
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| Structure |
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| Formula |
C28H24F6N4O2
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| Molecular Weight |
562.514
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| Canonical SMILES |
CC(C)Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C28H24F6N4O2/c1-15(2)11-23-37-22-13-17(36-26(40)18-8-4-6-10-21(18)28(32,33)34)12-19(24(22)38-23)25(39)35-14-16-7-3-5-9-20(16)27(29,30)31/h3-10,12-13,15H,11,14H2,1-2H3,(H,35,39)(H,36,40)(H,37,38)
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| InChIKey |
DOBCFMQGDRBUKQ-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