General Information of the Compound
Compound ID |
CP0961700
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Compound Name |
(S)-1-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)-2-phenylethanone trifluoroacetate
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Structure |
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Formula |
C22H23F6N3O4
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Molecular Weight |
507.431
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Canonical SMILES |
NCc1cc(O[C@H]2CCCN(C(=O)Cc3ccccc3)C2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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InChI |
InChI=1S/C20H22F3N3O2.C2HF3O2/c21-20(22,23)17-9-15(12-24)10-18(25-17)28-16-7-4-8-26(13-16)19(27)11-14-5-2-1-3-6-14;3-2(4,5)1(6)7/h1-3,5-6,9-10,16H,4,7-8,11-13,24H2;(H,6,7)/t16-;/m0./s1
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InChIKey |
MIVDDXMSTKYDPY-NTISSMGPSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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