General Information of the Compound
| Compound ID |
CP0429927
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| Compound Name |
3-[5-oxo-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzonitrile
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| Structure |
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| Formula |
C13H5F3N4OS
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| Molecular Weight |
322.271
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| Canonical SMILES |
FC(F)(F)c1cc(=O)n2nc(sc2n1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C13H5F3N4OS/c14-13(15,16)9-5-10(21)20-12(18-9)22-11(19-20)8-3-1-2-7(4-8)6-17/h1-5H
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| InChIKey |
XQYCMUFKDIPMNS-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