General Information of the Compound
| Compound ID |
CP0131868
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| Compound Name |
US9241942, 37-1
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| Structure |
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| Formula |
C14H9NO2
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| Molecular Weight |
223.231
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| Canonical SMILES |
Oc1ccc(cc1C=O)C#Cc1ccccn1
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| InChI |
InChI=1S/C14H9NO2/c16-10-12-9-11(5-7-14(12)17)4-6-13-3-1-2-8-15-13/h1-3,5,7-10,17H
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| InChIKey |
XPAKEXBFVQHTBI-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