General Information of the Compound
| Compound ID |
CP0429998
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| Compound Name |
8-[2-(3-Methoxy-benzylamino)-1-methyl-ethoxy]-quinolin-2-ylamine
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| Structure |
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| Formula |
C20H23N3O2
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| Molecular Weight |
337.423
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| Canonical SMILES |
COc1cccc(CNCC(C)Oc2cccc3ccc(N)nc23)c1
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| InChI |
InChI=1S/C20H23N3O2/c1-14(12-22-13-15-5-3-7-17(11-15)24-2)25-18-8-4-6-16-9-10-19(21)23-20(16)18/h3-11,14,22H,12-13H2,1-2H3,(H2,21,23)
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| InChIKey |
JHYPBALOYBGABT-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