General Information of the Compound
| Compound ID |
CP0480681
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| Compound Name |
Benzo[1,3]dioxole-5-carboxylic acid [3-(2-amino-quinolin-8-yloxy)-propyl]-amide
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| Structure |
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| Formula |
C20H19N3O4
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| Molecular Weight |
365.389
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| Canonical SMILES |
Nc1ccc2cccc(OCCCNC(=O)c3ccc4OCOc4c3)c2n1
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| InChI |
InChI=1S/C20H19N3O4/c21-18-8-6-13-3-1-4-16(19(13)23-18)25-10-2-9-22-20(24)14-5-7-15-17(11-14)27-12-26-15/h1,3-8,11H,2,9-10,12H2,(H2,21,23)(H,22,24)
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| InChIKey |
XDFQVWQIAHZMME-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