General Information of the Compound
| Compound ID |
CP0901644
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| Compound Name |
(S)-1-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)-2-methylpropan-1-one trifluoroacetate
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| Structure |
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| Formula |
C18H23F6N3O4
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| Molecular Weight |
459.387
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| Canonical SMILES |
CC(C)C(=O)N1CCC[C@H](Oc2cc(CN)cc(C(F)(F)F)n2)C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C16H22F3N3O2.C2HF3O2/c1-10(2)15(23)22-5-3-4-12(9-22)24-14-7-11(8-20)6-13(21-14)16(17,18)19;3-2(4,5)1(6)7/h6-7,10,12H,3-5,8-9,20H2,1-2H3;(H,6,7)/t12-;/m0./s1
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| InChIKey |
JIYOEWUDRLIZLL-YDALLXLXSA-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