General Information of the Compound
| Compound ID |
CP0944240
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| Compound Name |
N-(2-(1H-Pyrazol-1-yl)ethyl)-3-(((6-(aminomethyl)pyrimidin-4-yl)oxy)methyl)benzamide Trifluoroacetate
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| Structure |
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| Formula |
C20H21F3N6O4
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| Molecular Weight |
466.42
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| Canonical SMILES |
NCc1cc(OCc2cccc(C(=O)NCCn3cccn3)c2)ncn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H20N6O2.C2HF3O2/c19-11-16-10-17(22-13-21-16)26-12-14-3-1-4-15(9-14)18(25)20-6-8-24-7-2-5-23-24;3-2(4,5)1(6)7/h1-5,7,9-10,13H,6,8,11-12,19H2,(H,20,25);(H,6,7)
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| InChIKey |
RSOTVBBJBDVQJY-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