General Information of the Compound
| Compound ID |
CP0569099
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| Compound Name |
US9187424, 34
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| Structure |
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| Formula |
C26H27F3N2O3
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| Molecular Weight |
472.507
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCOC(C)(C)C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N2O3/c1-17-5-7-18(8-6-17)21-15-25(26(27,28)29,31-23(32)22(21)16-30)19-9-11-20(12-10-19)33-13-14-34-24(2,3)4/h5-12H,13-15H2,1-4H3,(H,31,32)
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| InChIKey |
ZSHDXHIXEQNOCA-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