General Information of the Compound
| Compound ID |
CP0562166
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| Compound Name |
(1-benzo{1,3}dioxol-5-ylmethylpiperidin-4-yl)(6-methoxyquinolin-4-yl)amine
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
COc1ccc2nccc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C23H25N3O3/c1-27-18-3-4-20-19(13-18)21(6-9-24-20)25-17-7-10-26(11-8-17)14-16-2-5-22-23(12-16)29-15-28-22/h2-6,9,12-13,17H,7-8,10-11,14-15H2,1H3,(H,24,25)
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| InChIKey |
BKFFZXVHNBFKOA-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