General Information of the Compound
| Compound ID |
CP0418260
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| Compound Name |
US9481682, 152
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| Structure |
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| Formula |
C28H28F4N8O3
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| Molecular Weight |
600.577
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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)n2ccnc(N)c12
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| InChI |
InChI=1S/C28H28F4N8O3/c1-3-43-19-11-16(27(42)35-21-12-20(28(30,31)32)38(2)37-21)18(29)10-17(19)23-24-25(33)34-8-9-39(24)26(36-23)14-4-5-15-6-7-22(41)40(15)13-14/h8-12,14-15H,3-7,13H2,1-2H3,(H2,33,34)(H,35,37,42)/t14-,15+/m1/s1
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| InChIKey |
NXLCZLGIFNXPCS-CABCVRRESA-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