General Information of the Compound
| Compound ID |
CP0958094
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| Compound Name |
(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)(3-(methoxymethyl)azetidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C19H21ClF3N3O3
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| Molecular Weight |
431.842
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| Canonical SMILES |
COCC1CN(C(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)C1.Cl
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| InChI |
InChI=1S/C19H20F3N3O3.ClH/c1-27-11-13-9-25(10-13)18(26)14-3-2-4-15(7-14)28-17-6-12(8-23)5-16(24-17)19(20,21)22;/h2-7,13H,8-11,23H2,1H3;1H
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| InChIKey |
BMJINBQZKDXMBY-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