General Information of the Compound
| Compound ID |
CP0405395
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| Compound Name |
2-phenyl-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C12H6F3N3OS
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| Molecular Weight |
297.261
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| Canonical SMILES |
FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1ccccc1
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| InChI |
InChI=1S/C12H6F3N3OS/c13-12(14,15)8-6-9(19)18-11(16-8)20-10(17-18)7-4-2-1-3-5-7/h1-6H
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| InChIKey |
JEFBPGKRZNKFTP-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
Protein ID: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT03662, Intestinal-type alkaline phosphatase