General Information of the Compound
| Compound ID |
CP0471820
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| Compound Name |
2-(4-ethoxyanilino)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C14H11F3N4O2S
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| Molecular Weight |
356.329
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| Canonical SMILES |
CCOc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1
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| InChI |
InChI=1S/C14H11F3N4O2S/c1-2-23-9-5-3-8(4-6-9)18-12-20-21-11(22)7-10(14(15,16)17)19-13(21)24-12/h3-7H,2H2,1H3,(H,18,20)
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| InChIKey |
KLZTXKRHTGXSOD-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