General Information of the Compound
| Compound ID |
CP0912863
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| Compound Name |
3-((4-(Aminomethyl)pyridin-2-yl)oxy)-N-(4-methoxyphenyl)-benzamide Hydrochloride
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| Structure |
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| Formula |
C20H20ClN3O3
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| Molecular Weight |
385.851
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| Canonical SMILES |
COc1ccc(NC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1.Cl
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| InChI |
InChI=1S/C20H19N3O3.ClH/c1-25-17-7-5-16(6-8-17)23-20(24)15-3-2-4-18(12-15)26-19-11-14(13-21)9-10-22-19;/h2-12H,13,21H2,1H3,(H,23,24);1H
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| InChIKey |
BGTKGPGTVXXSCS-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
Protein ID: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05764, Protein-lysine 6-oxidase