General Information of the Compound
| Compound ID |
CP0546003
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| Compound Name |
US9187424, 102
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| Structure |
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| Formula |
C26H28F3N3O4
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| Molecular Weight |
503.521
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(C)(NC2=O)C(=O)NCCCC(F)(F)F)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C26H28F3N3O4/c1-16-5-7-17(8-6-16)20-15-25(2,24(35)30-14-4-13-26(27,28)29)32-23(34)21(20)22(33)31-18-9-11-19(36-3)12-10-18/h5-12H,4,13-15H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)
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| InChIKey |
XBDIBIFQMJCHNJ-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