General Information of the Compound
| Compound ID |
CP0037854
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| Compound Name |
3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
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| Structure |
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| Formula |
C20H17F2N7O2
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| Molecular Weight |
425.399
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| Canonical SMILES |
Nc1nc(OC2CCN(CC2)c2ncnc(Oc3cccc(c3)C#N)c2F)ncc1F
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| InChI |
InChI=1S/C20H17F2N7O2/c21-15-10-25-20(28-17(15)24)31-13-4-6-29(7-5-13)18-16(22)19(27-11-26-18)30-14-3-1-2-12(8-14)9-23/h1-3,8,10-11,13H,4-7H2,(H2,24,25,28)
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| InChIKey |
ZIKYOYRPXLQDNN-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