General Information of the Compound
| Compound ID |
CP0244604
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| Compound Name |
2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)pyrimidin-4-yloxy)-5-methoxybenzonitrile
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| Structure |
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| Formula |
C21H20FN7O3
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| Molecular Weight |
437.435
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| Canonical SMILES |
COc1ccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c(c1)C#N
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| InChI |
InChI=1S/C21H20FN7O3/c1-30-15-2-3-17(13(8-15)10-23)32-19-9-18(26-12-27-19)29-6-4-14(5-7-29)31-21-25-11-16(22)20(24)28-21/h2-3,8-9,11-12,14H,4-7H2,1H3,(H2,24,25,28)
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| InChIKey |
HPOBIKVPYLJFHG-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