General Information of the Compound
| Compound ID |
CP0527355
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| Compound Name |
US9206173, 2451
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| Structure |
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| Formula |
C26H27F3N4O4
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| Molecular Weight |
516.52
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| Canonical SMILES |
CCOc1ccc(cc1)C(=O)N1CCc2nc(NC(C)c3ccc(cc3)C(F)(F)F)n(OC)c(=O)c2C1
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| InChI |
InChI=1S/C26H27F3N4O4/c1-4-37-20-11-7-18(8-12-20)23(34)32-14-13-22-21(15-32)24(35)33(36-3)25(31-22)30-16(2)17-5-9-19(10-6-17)26(27,28)29/h5-12,16H,4,13-15H2,1-3H3,(H,30,31)
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| InChIKey |
WZVABFGIISCZFI-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