General Information of the Compound
| Compound ID |
CP0556699
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| Compound Name |
4-(2,4-difluorophenoxy)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C14H11F2N3O
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| Molecular Weight |
275.258
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| Canonical SMILES |
CCc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12
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| InChI |
InChI=1S/C14H11F2N3O/c1-2-8-6-17-13-12(8)14(19-7-18-13)20-11-4-3-9(15)5-10(11)16/h3-7H,2H2,1H3,(H,17,18,19)
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| InChIKey |
NHXPTCSMIZELNE-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