General Information of the Compound
| Compound ID |
CP0505130
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| Compound Name |
ethyl 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C20H15F3N2O2
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| Molecular Weight |
372.346
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| Canonical SMILES |
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H15F3N2O2/c1-3-27-19(26)15-10-18-17(24-13(2)11-25(18)12-15)9-6-14-4-7-16(8-5-14)20(21,22)23/h4-5,7-8,10-12H,3H2,1-2H3
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| InChIKey |
UEKJWQSMBUORNB-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