General Information of the Compound
| Compound ID |
CP0559721
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| Compound Name |
US9206173, 2460
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| Structure |
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| Formula |
C27H25F3N4O5
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| Molecular Weight |
542.514
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| Canonical SMILES |
COc1ccc2oc(cc2c1)C(=O)N1CCc2nc(NC(C)c3ccc(cc3)C(F)(F)F)n(OC)c(=O)c2C1
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| InChI |
InChI=1S/C27H25F3N4O5/c1-15(16-4-6-18(7-5-16)27(28,29)30)31-26-32-21-10-11-33(14-20(21)24(35)34(26)38-3)25(36)23-13-17-12-19(37-2)8-9-22(17)39-23/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,31,32)
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| InChIKey |
LUPZBZULIIFING-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