General Information of the Compound
| Compound ID |
CP0901484
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| Compound Name |
4-(3-((4-(Aminomethyl)pyridin-2-yl)oxy)benzamido)benzoic Acid Hydrochloride
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| Structure |
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| Formula |
C20H18ClN3O4
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| Molecular Weight |
399.834
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| Canonical SMILES |
Cl.NCc1ccnc(Oc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)c1
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| InChI |
InChI=1S/C20H17N3O4.ClH/c21-12-13-8-9-22-18(10-13)27-17-3-1-2-15(11-17)19(24)23-16-6-4-14(5-7-16)20(25)26;/h1-11H,12,21H2,(H,23,24)(H,25,26);1H
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| InChIKey |
PYRQGIOHCHXGEL-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