General Information of the Compound
| Compound ID |
CP0397068
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| Compound Name |
(3-methylcyclobutyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
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| Structure |
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| Formula |
C20H20N2OS
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| Molecular Weight |
336.46
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| Canonical SMILES |
CC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H20N2OS/c1-14-11-16(12-14)20(23)22-10-9-17-18(13-22)24-19(21-17)8-7-15-5-3-2-4-6-15/h2-6,14,16H,9-13H2,1H3
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| InChIKey |
JQQTVPFJENLABZ-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