General Information of the Compound
| Compound ID |
CP0524731
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| Compound Name |
6,7-Dimethoxy-4-(3-trifluoromethylphenylamino)-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C19H14F3N3O2
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| Molecular Weight |
373.334
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3cccc(c3)C(F)(F)F)c2cc1OC
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| InChI |
InChI=1S/C19H14F3N3O2/c1-26-16-7-14-15(8-17(16)27-2)24-10-11(9-23)18(14)25-13-5-3-4-12(6-13)19(20,21)22/h3-8,10H,1-2H3,(H,24,25)
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| InChIKey |
NPVUUFCFLLPVCM-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