General Information of the Compound
| Compound ID |
CP0530013
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| Compound Name |
ethyl 1-[2-(2-fluorophenyl)ethynyl]-3-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C19H15FN2O2
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| Molecular Weight |
322.339
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| Canonical SMILES |
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1F
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| InChI |
InChI=1S/C19H15FN2O2/c1-3-24-19(23)15-10-18-17(21-13(2)11-22(18)12-15)9-8-14-6-4-5-7-16(14)20/h4-7,10-12H,3H2,1-2H3
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| InChIKey |
NTAGMISBMIEUNV-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