General Information of the Compound
| Compound ID |
CP0547303
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| Compound Name |
4-(6-ethynylbenzimidazol-1-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C13H9N5
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| Molecular Weight |
235.25
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| Canonical SMILES |
Nc1nccc(n1)-n1cnc2ccc(cc12)C#C
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| InChI |
InChI=1S/C13H9N5/c1-2-9-3-4-10-11(7-9)18(8-16-10)12-5-6-15-13(14)17-12/h1,3-8H,(H2,14,15,17)
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| InChIKey |
XQCBJSUBJMYDGO-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