General Information of the Compound
| Compound ID |
CP0457598
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| Compound Name |
3-methyl-1-(2-phenylethynyl)-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C17H11F3N2
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| Molecular Weight |
300.283
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C17H11F3N2/c1-12-10-22-11-14(17(18,19)20)9-16(22)15(21-12)8-7-13-5-3-2-4-6-13/h2-6,9-11H,1H3
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| InChIKey |
NPZNLNHYQDJUBM-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