General Information of the Compound
| Compound ID |
CP0382920
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| Compound Name |
2-(aminomethyl)-6-(phenylethynyl)quinolin-4(1H)-one hydrochloride
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| Structure |
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| Formula |
C18H14N2O
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| Molecular Weight |
274.323
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| Canonical SMILES |
NCc1cc(=O)c2cc(ccc2[nH]1)C#Cc1ccccc1
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| InChI |
InChI=1S/C18H14N2O/c19-12-15-11-18(21)16-10-14(8-9-17(16)20-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,12,19H2,(H,20,21)
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| InChIKey |
GEQDUPJECREPAJ-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