General Information of the Compound
| Compound ID |
CP0464878
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| Compound Name |
ethyl 1-[2-(3-cyanophenyl)ethynyl]-3-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
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| Structure |
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| Formula |
C20H15N3O2
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| Molecular Weight |
329.359
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| Canonical SMILES |
CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C20H15N3O2/c1-3-25-20(24)17-10-19-18(22-14(2)12-23(19)13-17)8-7-15-5-4-6-16(9-15)11-21/h4-6,9-10,12-13H,3H2,1-2H3
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| InChIKey |
VIZRBMGIJCAOEN-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