General Information of the Compound
| Compound ID |
CP0579469
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| Compound Name |
4-[6-[2-(2-ethenylpyrimidin-4-yl)ethynyl]benzimidazol-1-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C19H13N7
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| Molecular Weight |
339.362
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| Canonical SMILES |
Nc1nccc(n1)-n1cnc2ccc(cc12)C#Cc1ccnc(C=C)n1
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| InChI |
InChI=1S/C19H13N7/c1-2-17-21-9-7-14(24-17)5-3-13-4-6-15-16(11-13)26(12-23-15)18-8-10-22-19(20)25-18/h2,4,6-12H,1H2,(H2,20,22,25)
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| InChIKey |
KEXDAMRRPRYVPR-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