General Information of the Compound
| Compound ID |
CP0441628
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| Compound Name |
US8889668, I35
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| Structure |
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| Formula |
C22H22F3N3O2
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| Molecular Weight |
417.431
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N3O2/c1-14-7-5-6-12-28(14)18-11-10-15(13-17(18)22(23,24)25)21-26-20(27-30-21)16-8-3-4-9-19(16)29-2/h3-4,8-11,13-14H,5-7,12H2,1-2H3
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| InChIKey |
GKORUIGMJCLDBE-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