General Information of the Compound
| Compound ID |
CP0255834
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| Compound Name |
US11078186, Example 108
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| Structure |
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| Formula |
C29H25F7N2O4
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| Molecular Weight |
598.515
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| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCc1ccc2OCOc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H25F7N2O4/c1-26(19-7-9-21(30)10-8-19)15-38(25(39)37-13-17-2-11-23-24(12-17)42-16-41-23)14-22(26)18-3-5-20(6-4-18)27(40,28(31,32)33)29(34,35)36/h2-12,22,40H,13-16H2,1H3,(H,37,39)/t22-,26+/m0/s1
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| InChIKey |
IVYCDZRSZPXSIU-BKMJKUGQSA-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