General Information of the Compound
| Compound ID |
CP0471819
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| Compound Name |
2-(4-ethylphenyl)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C14H10F3N3OS
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| Molecular Weight |
325.315
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| Canonical SMILES |
CCc1ccc(cc1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
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| InChI |
InChI=1S/C14H10F3N3OS/c1-2-8-3-5-9(6-4-8)12-19-20-11(21)7-10(14(15,16)17)18-13(20)22-12/h3-7H,2H2,1H3
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| InChIKey |
GBCJYLNDPKWKRY-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