General Information of the Compound
| Compound ID |
CP0946493
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(4-fluorobenzyl)benzamide hydrochloride
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| Structure |
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| Formula |
C21H18ClF4N3O2
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| Molecular Weight |
455.839
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCc3ccc(F)cc3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H17F4N3O2.ClH/c22-16-6-4-13(5-7-16)12-27-20(29)15-2-1-3-17(10-15)30-19-9-14(11-26)8-18(28-19)21(23,24)25;/h1-10H,11-12,26H2,(H,27,29);1H
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| InChIKey |
NDLKDPWULREWIX-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