General Information of the Compound
| Compound ID |
CP0579800
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| Compound Name |
4-[6-[2-(4-ethynylpyrimidin-2-yl)ethynyl]benzimidazol-1-yl]pyrimidin-2-amine
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| Formula |
C19H11N7
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| Molecular Weight |
337.346
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| Canonical SMILES |
Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1nccc(n1)C#C
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| InChI |
InChI=1S/C19H11N7/c1-2-14-7-9-21-17(24-14)6-4-13-3-5-15-16(11-13)26(12-23-15)18-8-10-22-19(20)25-18/h1,3,5,7-12H,(H2,20,22,25)
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| InChIKey |
WHGGGFMSJFAYSV-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