General Information of the Compound
| Compound ID |
CP0422002
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| Compound Name |
6-isopropyl-2-(thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
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| Structure |
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| Formula |
C17H16N2OS
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| Molecular Weight |
296.395
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| Canonical SMILES |
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccs1
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| InChI |
InChI=1S/C17H16N2OS/c1-12(2)19-10-9-16-15(17(19)20)8-6-13(18-16)5-7-14-4-3-11-21-14/h3-4,6,8,11-12H,9-10H2,1-2H3
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| InChIKey |
RFXRCZZBJCMZPO-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