General Information of the Compound
| Compound ID |
CP0485472
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| Compound Name |
8-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pyrrolidin-3-yloxy]-quinolin-2-ylamine
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
Nc1ccc2cccc(OC3CCN(C3)c3ccc4OCCOc4c3)c2n1
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| InChI |
InChI=1S/C21H21N3O3/c22-20-7-4-14-2-1-3-18(21(14)23-20)27-16-8-9-24(13-16)15-5-6-17-19(12-15)26-11-10-25-17/h1-7,12,16H,8-11,13H2,(H2,22,23)
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| InChIKey |
BBYRQKZFHKDPAA-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