General Information of the Compound
| Compound ID |
CP0294470
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| Compound Name |
2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-methylpyrimidin-4-yloxy)benzonitrile
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| Structure |
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| Formula |
C21H20FN7O2
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| Molecular Weight |
421.436
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| Canonical SMILES |
Cc1c(Oc2ccccc2C#N)ncnc1N1CCC(CC1)Oc1ncc(F)c(N)n1
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| InChI |
InChI=1S/C21H20FN7O2/c1-13-19(26-12-27-20(13)31-17-5-3-2-4-14(17)10-23)29-8-6-15(7-9-29)30-21-25-11-16(22)18(24)28-21/h2-5,11-12,15H,6-9H2,1H3,(H2,24,25,28)
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| InChIKey |
NKGMWVBXJYDXSK-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