General Information of the Compound
| Compound ID |
CP0482620
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| Compound Name |
2-(2-methoxyphenyl)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C13H8F3N3O2S
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| Molecular Weight |
327.287
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| Canonical SMILES |
COc1ccccc1-c1nn2c(nc(cc2=O)C(F)(F)F)s1
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| InChI |
InChI=1S/C13H8F3N3O2S/c1-21-8-5-3-2-4-7(8)11-18-19-10(20)6-9(13(14,15)16)17-12(19)22-11/h2-6H,1H3
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| InChIKey |
OQQKRSIKWFIMRM-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