General Information of the Compound
| Compound ID |
CP0375652
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| Compound Name |
2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
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| Structure |
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| Formula |
C13H9N3OS
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| Molecular Weight |
255.302
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| Canonical SMILES |
O=C1NCCc2nc(sc12)C#Cc1cccnc1
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| InChI |
InChI=1S/C13H9N3OS/c17-13-12-10(5-7-15-13)16-11(18-12)4-3-9-2-1-6-14-8-9/h1-2,6,8H,5,7H2,(H,15,17)
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| InChIKey |
LAIVMHBDWCQYSI-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