General Information of the Compound
| Compound ID |
CP0525660
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| Compound Name |
1-(2-phenylethynyl)-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C16H9F3N2
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| Molecular Weight |
286.256
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| Canonical SMILES |
FC(F)(F)c1cc2c(nccn2c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C16H9F3N2/c17-16(18,19)13-10-15-14(20-8-9-21(15)11-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H
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| InChIKey |
XONXNXXKDNVVSJ-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