General Information of the Compound
| Compound ID |
CP0635625
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| Compound Name |
3-methoxy-4-((2-(pyridin-3-yl)-5,6-dihydropyridin-3(4H)-ylidene)methyl)phenol
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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 |
COc1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1
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| InChI |
InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/b14-10+
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| InChIKey |
KXAAIPFSUGPVMQ-GXDHUFHOSA-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
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7