General Information of the Compound
| Compound ID |
CP0956836
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(2-hydroxy-2-methylpropyl)benzamide hydrochloride
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| Structure |
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| Formula |
C18H21ClF3N3O3
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| Molecular Weight |
419.831
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| Canonical SMILES |
CC(C)(O)CNC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl
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| InChI |
InChI=1S/C18H20F3N3O3.ClH/c1-17(2,26)10-23-16(25)12-4-3-5-13(8-12)27-15-7-11(9-22)6-14(24-15)18(19,20)21;/h3-8,26H,9-10,22H2,1-2H3,(H,23,25);1H
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| InChIKey |
VNSQXGFZQXDQOL-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