General Information of the Compound
| Compound ID |
CP0436548
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| Compound Name |
4-(4-Fluoro-3-trifluoromethylphenylamino)-6,7-dimethoxyquinoline-3-carbonitrile Hydrochloride
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| Structure |
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| Formula |
C19H13F4N3O2
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| Molecular Weight |
391.324
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3ccc(F)c(c3)C(F)(F)F)c2cc1OC
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| InChI |
InChI=1S/C19H13F4N3O2/c1-27-16-6-12-15(7-17(16)28-2)25-9-10(8-24)18(12)26-11-3-4-14(20)13(5-11)19(21,22)23/h3-7,9H,1-2H3,(H,25,26)
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| InChIKey |
JOFXBKKTSVGEOP-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