General Information of the Compound
| Compound ID |
CP0757384
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| Compound Name |
N-(2-(1H-Tetrazol-1-yl)ethyl)-3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzamide Hydrochloride
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| Structure |
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| Formula |
C17H17ClF3N7O2
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| Molecular Weight |
443.817
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCCn3cnnn3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C17H16F3N7O2.ClH/c18-17(19,20)14-6-11(9-21)7-15(24-14)29-13-3-1-2-12(8-13)16(28)22-4-5-27-10-23-25-26-27;/h1-3,6-8,10H,4-5,9,21H2,(H,22,28);1H
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| InChIKey |
ALSBOXSZNBMSCR-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