General Information of the Compound
| Compound ID |
CP0381102
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| Compound Name |
2-(2-phenylethynyl)-5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
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| Structure |
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| Formula |
C17H18N2O2S2
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| Molecular Weight |
346.477
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| Canonical SMILES |
CC(C)S(=O)(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C17H18N2O2S2/c1-13(2)23(20,21)19-11-10-15-16(12-19)22-17(18-15)9-8-14-6-4-3-5-7-14/h3-7,13H,10-12H2,1-2H3
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| InChIKey |
VQCKZBKEDHEQHN-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