General Information of the Compound
| Compound ID |
CP0315890
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| Compound Name |
2-(1-(6-(2-chlorophenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
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| Structure |
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| Formula |
C19H18ClFN6O2
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| Molecular Weight |
416.844
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| Canonical SMILES |
Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3Cl)ncn2)ncc1F
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| InChI |
InChI=1S/C19H18ClFN6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
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| InChIKey |
ZQDLKWIEFXKBPT-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