General Information of the Compound
| Compound ID |
CP0969743
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| Compound Name |
Rac-(3-(((6-(aminomethyl)pyrimidin-4-yl)oxy)methyl)phenyl)(3-hydroxy-3-(trifluoromethyl)piperidin-1-yl)methanone Trifluoroacetate
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| Structure |
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| Formula |
C21H22F6N4O5
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| Molecular Weight |
524.418
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| Canonical SMILES |
NCc1cc(OCc2cccc(C(=O)N3CCCC(O)(C(F)(F)F)C3)c2)ncn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N4O3.C2HF3O2/c20-19(21,22)18(28)5-2-6-26(11-18)17(27)14-4-1-3-13(7-14)10-29-16-8-15(9-23)24-12-25-16;3-2(4,5)1(6)7/h1,3-4,7-8,12,28H,2,5-6,9-11,23H2;(H,6,7)
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| InChIKey |
RPOHWNRJBZIJGI-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