General Information of the Compound
| Compound ID |
CP0422667
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| Compound Name |
[3-methyl-1-(2-phenylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C21H19N3O
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| Molecular Weight |
329.403
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C21H19N3O/c1-16-14-24-15-18(21(25)23-11-5-6-12-23)13-20(24)19(22-16)10-9-17-7-3-2-4-8-17/h2-4,7-8,13-15H,5-6,11-12H2,1H3
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| InChIKey |
UGNGYXRNKAYWJE-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