General Information of the Compound
| Compound ID |
CP0485478
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| Compound Name |
8-[(R)-1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-pyrrolidin-3-yloxy]-quinolin-2-ylamine
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| Structure |
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| Formula |
C20H17F2N3O3
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| Molecular Weight |
385.37
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| Canonical SMILES |
Nc1ccc2cccc(O[C@@H]3CCN(C3)c3ccc4OC(F)(F)Oc4c3)c2n1
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| InChI |
InChI=1S/C20H17F2N3O3/c21-20(22)27-15-6-5-13(10-17(15)28-20)25-9-8-14(11-25)26-16-3-1-2-12-4-7-18(23)24-19(12)16/h1-7,10,14H,8-9,11H2,(H2,23,24)/t14-/m1/s1
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| InChIKey |
DITRAWGPPHDAHU-CQSZACIVSA-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