General Information of the Compound
| Compound ID |
CP0559719
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| Compound Name |
US9206173, 2448
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| Structure |
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| Formula |
C28H27F3N4O3
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| Molecular Weight |
524.543
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCc2nc(N[C@@H](C)c3ccc(cc3)C(F)(F)F)n(CC#CC)c(=O)c2C1
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| InChI |
InChI=1S/C28H27F3N4O3/c1-4-5-15-35-26(37)23-17-34(25(36)20-8-12-22(38-3)13-9-20)16-14-24(23)33-27(35)32-18(2)19-6-10-21(11-7-19)28(29,30)31/h6-13,18H,14-17H2,1-3H3,(H,32,33)/t18-/m0/s1
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| InChIKey |
GKXULTSPVNRIHV-SFHVURJKSA-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