General Information of the Compound
| Compound ID |
CP0464619
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| Compound Name |
8-[3-(4-Chloro-3-trifluoromethyl-benzylamino)-propoxy]-quinolin-2-ylamine
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| Structure |
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| Formula |
C20H19ClF3N3O
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| Molecular Weight |
409.839
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| Canonical SMILES |
Nc1ccc2cccc(OCCCNCc3ccc(Cl)c(c3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C20H19ClF3N3O/c21-16-7-5-13(11-15(16)20(22,23)24)12-26-9-2-10-28-17-4-1-3-14-6-8-18(25)27-19(14)17/h1,3-8,11,26H,2,9-10,12H2,(H2,25,27)
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| InChIKey |
ZAGUWHNFSLUBMV-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