General Information of the Compound
| Compound ID |
CP0525617
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| Compound Name |
3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
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| Structure |
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| Formula |
C17H13NO
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| Molecular Weight |
247.297
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| Canonical SMILES |
O=C1CCCc2ncc(cc12)C#Cc1ccccc1
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| InChI |
InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)11-14(12-18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
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| InChIKey |
FZANBVBQQNZHBU-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