General Information of the Compound
| Compound ID |
CP0485905
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| Compound Name |
8-{2-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-ethoxy}-quinolin-2-ylamine
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| Structure |
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| Formula |
C19H19N3O3
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| Molecular Weight |
337.379
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| Canonical SMILES |
Nc1ccc2cccc(OCCNCc3ccc4OCOc4c3)c2n1
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| InChI |
InChI=1S/C19H19N3O3/c20-18-7-5-14-2-1-3-16(19(14)22-18)23-9-8-21-11-13-4-6-15-17(10-13)25-12-24-15/h1-7,10,21H,8-9,11-12H2,(H2,20,22)
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| InChIKey |
IYPRAYZLSMFKNB-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