General Information of the Compound
| Compound ID |
CP0381590
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| Compound Name |
2-(oxan-4-yl)-1-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
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| Structure |
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| Formula |
C21H22N2O2S
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| Molecular Weight |
366.486
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| Canonical SMILES |
O=C(CC1CCOCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C21H22N2O2S/c24-21(14-17-9-12-25-13-10-17)23-11-8-18-19(15-23)26-20(22-18)7-6-16-4-2-1-3-5-16/h1-5,17H,8-15H2
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| InChIKey |
JBDNMFRYSAWNNE-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