General Information of the Compound
| Compound ID |
CP0551986
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| Compound Name |
3-[2-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]phenol
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| Structure |
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| Formula |
C16H12N2O
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| Molecular Weight |
248.285
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| Canonical SMILES |
Cc1cn2cccc2c(n1)C#Cc1cccc(O)c1
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| InChI |
InChI=1S/C16H12N2O/c1-12-11-18-9-3-6-16(18)15(17-12)8-7-13-4-2-5-14(19)10-13/h2-6,9-11,19H,1H3
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| InChIKey |
WVKANQOVUXTWGO-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