General Information of the Compound
| Compound ID |
CP0395183
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| Compound Name |
2-((3-chlorophenyl)ethynyl)-6-methyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
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| Structure |
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| Formula |
C17H13ClN2O
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| Molecular Weight |
296.757
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| Canonical SMILES |
CN1CCc2nc(ccc2C1=O)C#Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C17H13ClN2O/c1-20-10-9-16-15(17(20)21)8-7-14(19-16)6-5-12-3-2-4-13(18)11-12/h2-4,7-8,11H,9-10H2,1H3
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| InChIKey |
UUAPOCHYLSFNHQ-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