General Information of the Compound
| Compound ID |
CP0460699
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| Compound Name |
6-isopropyl-2-(m-tolylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
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| Structure |
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C20H20N2O/c1-14(2)22-12-11-19-18(20(22)23)10-9-17(21-19)8-7-16-6-4-5-15(3)13-16/h4-6,9-10,13-14H,11-12H2,1-3H3
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| InChIKey |
PSRTXASOFPZFKH-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