General Information of the Compound
| Compound ID |
CP0388367
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| Compound Name |
6-Phenylethynyl-nicotinamide
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| Structure |
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| Formula |
C14H10N2O
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| Molecular Weight |
222.247
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| Canonical SMILES |
NC(=O)c1ccc(nc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C14H10N2O/c15-14(17)12-7-9-13(16-10-12)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,(H2,15,17)
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| InChIKey |
XQLNNYAUKUXNKV-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