General Information of the Compound
| Compound ID |
CP0548566
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| Compound Name |
4-(2,4,6-trifluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C12H6F3N3O
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| Molecular Weight |
265.194
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| Canonical SMILES |
Fc1cc(F)c(Oc2ncnc3[nH]ccc23)c(F)c1
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| InChI |
InChI=1S/C12H6F3N3O/c13-6-3-8(14)10(9(15)4-6)19-12-7-1-2-16-11(7)17-5-18-12/h1-5H,(H,16,17,18)
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| InChIKey |
NCCDBGIIFCZUHL-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