General Information of the Compound
| Compound ID |
CP0261509
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| Compound Name |
3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-[(2R)-2,3-dihydroxypropyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C17H19ClF3N3O4
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| Molecular Weight |
421.803
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N3O4.ClH/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24;/h1-6,12,24-25H,7-9,21H2,(H,22,26);1H/t12-;/m1./s1
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| InChIKey |
RGGVYVZFTJNTOA-UTONKHPSSA-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