General Information of the Compound
| Compound ID |
CP0294471
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| Compound Name |
2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-bromopyrimidin-4-yloxy)benzonitrile
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| Structure |
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| Formula |
C20H17BrFN7O2
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| Molecular Weight |
486.305
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| Canonical SMILES |
Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2Br)ncc1F
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| InChI |
InChI=1S/C20H17BrFN7O2/c21-16-18(26-11-27-19(16)31-15-4-2-1-3-12(15)9-23)29-7-5-13(6-8-29)30-20-25-10-14(22)17(24)28-20/h1-4,10-11,13H,5-8H2,(H2,24,25,28)
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| InChIKey |
HRNUXHORPBJFKD-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