General Information of the Compound
| Compound ID |
CP0510155
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| Compound Name |
4-(2-(pyrimidin-5-yl)ethynyl)benzaldehyde
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| Structure |
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| Formula |
C13H8N2O
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| Molecular Weight |
208.22
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| Canonical SMILES |
O=Cc1ccc(cc1)C#Cc1cncnc1
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| InChI |
InChI=1S/C13H8N2O/c16-9-12-4-1-11(2-5-12)3-6-13-7-14-10-15-8-13/h1-2,4-5,7-10H
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| InChIKey |
CRJWJEBGNGSAHW-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