General Information of the Compound
| Compound ID |
CP0969776
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(hex-5-yn-1-yl)benzamide trifluoroacetate
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| Structure |
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| Formula |
C22H21F6N3O4
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| Molecular Weight |
505.415
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| Canonical SMILES |
C#CCCCCNC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N3O2.C2HF3O2/c1-2-3-4-5-9-25-19(27)15-7-6-8-16(12-15)28-18-11-14(13-24)10-17(26-18)20(21,22)23;3-2(4,5)1(6)7/h1,6-8,10-12H,3-5,9,13,24H2,(H,25,27);(H,6,7)
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| InChIKey |
DGTQEQXDVIIPOE-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