General Information of the Compound
| Compound ID |
CP0433420
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| Compound Name |
5-butyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
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| Structure |
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| Formula |
C18H20N2S
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| Molecular Weight |
296.439
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| Canonical SMILES |
CCCCN1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C18H20N2S/c1-2-3-12-20-13-11-16-17(14-20)21-18(19-16)10-9-15-7-5-4-6-8-15/h4-8H,2-3,11-14H2,1H3
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| InChIKey |
STUYYHSINKTBAG-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