General Information of the Compound
| Compound ID |
CP0506754
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| Compound Name |
US8889668, I18
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| Structure |
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| Formula |
C20H18F3N3O3
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| Molecular Weight |
405.376
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(N2CCOCC2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N3O3/c1-27-17-5-3-2-4-14(17)18-24-19(29-25-18)13-6-7-16(15(12-13)20(21,22)23)26-8-10-28-11-9-26/h2-7,12H,8-11H2,1H3
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| InChIKey |
YMGLGKHJWHBSEX-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