General Information of the Compound
| Compound ID |
CP0412646
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| Compound Name |
4-[[3-methyl-1-(2-phenylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methyl]piperazin-2-one
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
Cc1cn2cc(CN3CCNC(=O)C3)cc2c(n1)C#Cc1ccccc1
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| InChI |
InChI=1S/C21H20N4O/c1-16-12-25-14-18(13-24-10-9-22-21(26)15-24)11-20(25)19(23-16)8-7-17-5-3-2-4-6-17/h2-6,11-12,14H,9-10,13,15H2,1H3,(H,22,26)
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| InChIKey |
JVWGWVFTODEEKJ-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