General Information of the Compound
| Compound ID |
CP0464901
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| Compound Name |
US9187424, 181
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| Structure |
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| Formula |
C28H23F5N2O4
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| Molecular Weight |
546.492
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C(F)(F)C(NC2=O)(c2ccc(OC)cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H23F5N2O4/c1-16-4-6-17(7-5-16)23-22(24(36)34-19-10-14-21(39-3)15-11-19)25(37)35-26(27(23,29)30,28(31,32)33)18-8-12-20(38-2)13-9-18/h4-15H,1-3H3,(H,34,36)(H,35,37)
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| InChIKey |
CMHKRYMKHQMWPK-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