General Information of the Compound
| Compound ID |
CP0946494
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(2-(methylsulfonyl)ethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C17H19ClF3N3O4S
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| Molecular Weight |
453.87
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl
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| InChI |
InChI=1S/C17H18F3N3O4S.ClH/c1-28(25,26)6-5-22-16(24)12-3-2-4-13(9-12)27-15-8-11(10-21)7-14(23-15)17(18,19)20;/h2-4,7-9H,5-6,10,21H2,1H3,(H,22,24);1H
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| InChIKey |
BGRRGGHPRUTUQF-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