General Information of the Compound
| Compound ID |
CP0909949
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| Compound Name |
(S)-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)(pyridin-3-yl)methanone trifluoroacetate
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| Structure |
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| Formula |
C20H20F6N4O4
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| Molecular Weight |
494.392
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| Canonical SMILES |
NCc1cc(O[C@H]2CCCN(C(=O)c3cccnc3)C2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N4O2.C2HF3O2/c19-18(20,21)15-7-12(9-22)8-16(24-15)27-14-4-2-6-25(11-14)17(26)13-3-1-5-23-10-13;3-2(4,5)1(6)7/h1,3,5,7-8,10,14H,2,4,6,9,11,22H2;(H,6,7)/t14-;/m0./s1
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| InChIKey |
YTFQVFSSWQFINP-UQKRIMTDSA-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