General Information of the Compound
| Compound ID |
CP0433161
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| Compound Name |
1-[2-(2-fluorophenyl)ethynyl]-3-methylpyrrolo[1,2-a]pyrazine-7-carbonitrile
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| Structure |
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| Formula |
C17H10FN3
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| Molecular Weight |
275.286
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C#N
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| InChI |
InChI=1S/C17H10FN3/c1-12-10-21-11-13(9-19)8-17(21)16(20-12)7-6-14-4-2-3-5-15(14)18/h2-5,8,10-11H,1H3
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| InChIKey |
QFEPUDQRKRRIGW-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