General Information of the Compound
| Compound ID |
CP0042982
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| Compound Name |
N-[(2,5-dimethoxyphenyl)methyl]quinolin-3-amine
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| Structure |
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| Formula |
C18H18N2O2
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| Molecular Weight |
294.354
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| Canonical SMILES |
COc1ccc(OC)c(CNc2cnc3ccccc3c2)c1
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| InChI |
InChI=1S/C18H18N2O2/c1-21-16-7-8-18(22-2)14(10-16)11-19-15-9-13-5-3-4-6-17(13)20-12-15/h3-10,12,19H,11H2,1-2H3
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| InChIKey |
MMOFZEGEDZSEPI-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