General Information of the Compound
| Compound ID |
CP0466846
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| Compound Name |
5-cyclopropylsulfonyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
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| Structure |
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| Formula |
C17H16N2O2S2
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| Molecular Weight |
344.461
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| Canonical SMILES |
O=S(=O)(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C17H16N2O2S2/c20-23(21,14-7-8-14)19-11-10-15-16(12-19)22-17(18-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2
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| InChIKey |
NGMIVBPHHSRQBE-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