General Information of the Compound
| Compound ID |
CP0037850
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| Compound Name |
5-fluoro-2-(1-(6-(3-methoxyphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
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| Structure |
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| Formula |
C20H21FN6O3
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| Molecular Weight |
412.425
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| Canonical SMILES |
COc1cccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c1
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| InChI |
InChI=1S/C20H21FN6O3/c1-28-14-3-2-4-15(9-14)29-18-10-17(24-12-25-18)27-7-5-13(6-8-27)30-20-23-11-16(21)19(22)26-20/h2-4,9-13H,5-8H2,1H3,(H2,22,23,26)
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| InChIKey |
DEKRTLNHJYBYMD-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