General Information of the Compound
| Compound ID |
CP0315891
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| Compound Name |
3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)-4-methoxybenzonitrile
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| Structure |
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| Formula |
C21H19F2N7O3
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| Molecular Weight |
455.425
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| Canonical SMILES |
COc1ccc(cc1Oc1ncnc(N2CCC(CC2)Oc2ncc(F)c(N)n2)c1F)C#N
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| InChI |
InChI=1S/C21H19F2N7O3/c1-31-15-3-2-12(9-24)8-16(15)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-14(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)
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| InChIKey |
ICZHFMLNDKXYSL-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