General Information of the Compound
| Compound ID |
CP0547699
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| Compound Name |
US8889668, I3
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| Structure |
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| Formula |
C20H18F3N3O2
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| Molecular Weight |
389.377
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1-c1noc(n1)-c1ccc(cc1)N1CCCCC1
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| InChI |
InChI=1S/C20H18F3N3O2/c21-20(22,23)27-17-7-3-2-6-16(17)18-24-19(28-25-18)14-8-10-15(11-9-14)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2
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| InChIKey |
KQFSYCRBNMXVTG-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