General Information of the Compound
| Compound ID |
CP0435409
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| Compound Name |
8-[3-(2,2-Difluoro-benzo[1,3]dioxol-5-ylamino)-propoxy]-quinolin-2-ylamine
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| Structure |
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| Formula |
C19H17F2N3O3
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| Molecular Weight |
373.359
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| Canonical SMILES |
Nc1ccc2cccc(OCCCNc3ccc4OC(F)(F)Oc4c3)c2n1
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| InChI |
InChI=1S/C19H17F2N3O3/c20-19(21)26-14-7-6-13(11-16(14)27-19)23-9-2-10-25-15-4-1-3-12-5-8-17(22)24-18(12)15/h1,3-8,11,23H,2,9-10H2,(H2,22,24)
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| InChIKey |
KMCDLJPYRDRLMN-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