General Information of the Compound
| Compound ID |
CP0874552
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| Compound Name |
(S)-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)(pyrimidin-5-yl)methanone trifluoroacetate
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| Structure |
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| Formula |
C19H19F6N5O4
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| Molecular Weight |
495.38
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| Canonical SMILES |
NCc1cc(O[C@H]2CCCN(C(=O)c3cncnc3)C2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N5O2.C2HF3O2/c18-17(19,20)14-4-11(6-21)5-15(24-14)27-13-2-1-3-25(9-13)16(26)12-7-22-10-23-8-12;3-2(4,5)1(6)7/h4-5,7-8,10,13H,1-3,6,9,21H2;(H,6,7)/t13-;/m0./s1
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| InChIKey |
FEBBBQIHGOXJGJ-ZOWNYOTGSA-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