General Information of the Compound
| Compound ID |
CP0579783
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| Compound Name |
4-[6-[2-(2-ethynylpyridin-4-yl)ethynyl]benzimidazol-1-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H12N6
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| Molecular Weight |
336.358
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| Canonical SMILES |
Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ccnc(c1)C#C
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| InChI |
InChI=1S/C20H12N6/c1-2-16-11-15(7-9-22-16)4-3-14-5-6-17-18(12-14)26(13-24-17)19-8-10-23-20(21)25-19/h1,5-13H,(H2,21,23,25)
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| InChIKey |
BSKLLKWKOHJINB-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