General Information of the Compound
| Compound ID |
CP0559275
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| Compound Name |
US9481682, 115
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| Structure |
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| Formula |
C28H27ClF4N8O3
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| Molecular Weight |
635.022
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| Canonical SMILES |
CCOc1cc(C(=O)Nc2cc(n(C)n2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12
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| InChI |
InChI=1S/C28H27ClF4N8O3/c1-3-44-18-9-15(27(43)36-21-10-19(28(31,32)33)39(2)38-21)17(30)8-16(18)23-24-25(34)35-11-20(29)41(24)26(37-23)13-4-5-14-6-7-22(42)40(14)12-13/h8-11,13-14H,3-7,12H2,1-2H3,(H2,34,35)(H,36,38,43)/t13-,14+/m1/s1
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| InChIKey |
IJFBEQUQNQDCQG-KGLIPLIRSA-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