General Information of the Compound
| Compound ID |
CP0878860
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| Compound Name |
(3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)phenyl)(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C19H22ClF3N4O3
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| Molecular Weight |
446.857
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)N3CCC(O)(C(F)(F)F)CC3)c2)ncn1
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| InChI |
InChI=1S/C19H21F3N4O3.ClH/c20-19(21,22)18(28)4-6-26(7-5-18)17(27)14-3-1-2-13(8-14)11-29-16-9-15(10-23)24-12-25-16;/h1-3,8-9,12,28H,4-7,10-11,23H2;1H
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| InChIKey |
LHNGRWMOUNGRCB-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