General Information of the Compound
| Compound ID |
CP0244601
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| Compound Name |
2-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yloxy)-5-fluoropyrimidin-4-amine
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| Structure |
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| Formula |
C16H10FN5OS
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| Molecular Weight |
339.355
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| Canonical SMILES |
Nc1nc(Oc2cc(ncn2)-c2cc3ccccc3s2)ncc1F
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| InChI |
InChI=1S/C16H10FN5OS/c17-10-7-19-16(22-15(10)18)23-14-6-11(20-8-21-14)13-5-9-3-1-2-4-12(9)24-13/h1-8H,(H2,18,19,22)
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| InChIKey |
DBAZFEKNAWXRSM-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